2-chloro-6-methylpyridine-3-carboxylic acid;methyl 2-chloro-6-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carboxylate;methyl 2-chloro-6-formylpyridine-3-carboxylate;methyl 2-chloro-6-(hydroxyiminomethyl)pyridine-3-carboxylate;methyl 2-chloro-6-methylpyridine-3-carboxylate;methyl 2-chloro-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(prop-1-ynyl)stannane

C87H91Cl6F12N9O15Sn — CID 161271894

IUPAC2-chloro-6-methylpyridine-3-carboxylic acid;methyl 2-chloro-6-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carboxylate;methyl 2-chloro-6-formylpyridine-3-carboxylate;methyl 2-chloro-6-(hydroxyiminomethyl)pyridine-3-carboxylate;methyl 2-chloro-6-methylpyridine-3-carboxylate;methyl 2-chloro-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(prop-1-ynyl)stannane
SMILESC=C(c1cc(C)cc(C(F)(F)F)c1)C(F)(F)F.CC#C[Sn](CCCC)(CCCC)CCCC.COC(=O)c1ccc(/C=C/N(C)C)nc1Cl.COC(=O)c1ccc(C)nc1Cl.COC(=O)c1ccc(C2=NOC(c3cc(C)cc(C(F)(F)F)c3)(C(F)(F)F)C2)nc1Cl.COC(=O)c1ccc(C=NO)nc1Cl.COC(=O)c1ccc(C=O)nc1Cl.Cc1ccc(C(=O)O)c(Cl)n1
InChIInChI=1S/C19H13ClF6N2O3.C11H13ClN2O2.C11H8F6.C8H7ClN2O3.C8H6ClNO3.C8H8ClNO2.C7H6ClNO2.3C4H9.C3H3.Sn/c1-9-5-10(7-11(6-9)18(21,22)23)17(19(24,25)26)8-14(28-31-17)13-4-3-12(15(20)27-13)16(29)30-2;1-14(2)7-6-8-4-5-9(10(12)13-8)11(15)16-3;1-6-3-8(7(2)10(12,13)14)5-9(4-6)11(15,16)17;1-14-8(12)6-3-2-5(4-10-13)11-7(6)9;1-13-8(12)6-3-2-5(4-11)10-7(6)9;1-5-3-4-6(7(9)10-5)8(11)12-2;1-4-2-3-5(7(10)11)6(8)9-4;3*1-3-4-2;1-3-2;/h3-7H,8H2,1-2H3;4-7H,1-3H3;3-5H,2H2,1H3;2-4,13H,1H3;2-4H,1H3;3-4H,1-2H3;2-3H,1H3,(H,10,11);3*1,3-4H2,2H3;1H3;/b;7-6+;;;;;;;;;;
InChIKeyVDXWBISERUHOIC-JYEFRYCPSA-N
MW2062.14 g/mol
LogP23.71
Rot. Bonds22

About 2-chloro-6-methylpyridine-3-carboxylic acid;methyl 2-chloro-6-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carboxylate;methyl 2-chloro-6-formylpyridine-3-carboxylate;methyl 2-chloro-6-(hydroxyiminomethyl)pyridine-3-carboxylate;methyl 2-chloro-6-methylpyridine-3-carboxylate;methyl 2-chloro-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(prop-1-ynyl)stannane

2-chloro-6-methylpyridine-3-carboxylic acid;methyl 2-chloro-6-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carboxylate;methyl 2-chloro-6-formylpyridine-3-carboxylate;methyl 2-chloro-6-(hydroxyiminomethyl)pyridine-3-carboxylate;methyl 2-chloro-6-methylpyridine-3-carboxylate;methyl 2-chloro-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(prop-1-ynyl)stannane (PubChem CID 161271894) has the molecular formula C87H91Cl6F12N9O15Sn and a molecular weight of 2062.14 g/mol. Its IUPAC name is 2-chloro-6-methylpyridine-3-carboxylic acid;methyl 2-chloro-6-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carboxylate;methyl 2-chloro-6-formylpyridine-3-carboxylate;methyl 2-chloro-6-(hydroxyiminomethyl)pyridine-3-carboxylate;methyl 2-chloro-6-methylpyridine-3-carboxylate;methyl 2-chloro-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(prop-1-ynyl)stannane.

Molecular Properties

Compound Name2-chloro-6-methylpyridine-3-carboxylic acid;methyl 2-chloro-6-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carboxylate;methyl 2-chloro-6-formylpyridine-3-carboxylate;methyl 2-chloro-6-(hydroxyiminomethyl)pyridine-3-carboxylate;methyl 2-chloro-6-methylpyridine-3-carboxylate;methyl 2-chloro-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(prop-1-ynyl)stannane
PubChem CID161271894
Molecular FormulaC87H91Cl6F12N9O15Sn
Molecular Weight2062.14 g/mol
Exact Mass2059.36
IUPAC Name2-chloro-6-methylpyridine-3-carboxylic acid;methyl 2-chloro-6-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carboxylate;methyl 2-chloro-6-formylpyridine-3-carboxylate;methyl 2-chloro-6-(hydroxyiminomethyl)pyridine-3-carboxylate;methyl 2-chloro-6-methylpyridine-3-carboxylate;methyl 2-chloro-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(prop-1-ynyl)stannane
SMILESC=C(c1cc(C)cc(C(F)(F)F)c1)C(F)(F)F.CC#C[Sn](CCCC)(CCCC)CCCC.COC(=O)c1ccc(/C=C/N(C)C)nc1Cl.COC(=O)c1ccc(C)nc1Cl.COC(=O)c1ccc(C2=NOC(c3cc(C)cc(C(F)(F)F)c3)(C(F)(F)F)C2)nc1Cl.COC(=O)c1ccc(C=NO)nc1Cl.COC(=O)c1ccc(C=O)nc1Cl.Cc1ccc(C(=O)O)c(Cl)n1
InChIInChI=1S/C19H13ClF6N2O3.C11H13ClN2O2.C11H8F6.C8H7ClN2O3.C8H6ClNO3.C8H8ClNO2.C7H6ClNO2.3C4H9.C3H3.Sn/c1-9-5-10(7-11(6-9)18(21,22)23)17(19(24,25)26)8-14(28-31-17)13-4-3-12(15(20)27-13)16(29)30-2;1-14(2)7-6-8-4-5-9(10(12)13-8)11(15)16-3;1-6-3-8(7(2)10(12,13)14)5-9(4-6)11(15,16)17;1-14-8(12)6-3-2-5(4-10-13)11-7(6)9;1-13-8(12)6-3-2-5(4-11)10-7(6)9;1-5-3-4-6(7(9)10-5)8(11)12-2;1-4-2-3-5(7(10)11)6(8)9-4;3*1-3-4-2;1-3-2;/h3-7H,8H2,1-2H3;4-7H,1-3H3;3-5H,2H2,1H3;2-4,13H,1H3;2-4H,1H3;3-4H,1-2H3;2-3H,1H3,(H,10,11);3*1,3-4H2,2H3;1H3;/b;7-6+;;;;;;;;;;
InChIKeyVDXWBISERUHOIC-JYEFRYCPSA-N
XLogP23.71
TPSA320.63 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms130
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002062.14
LogP ≤ 523.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze 2-chloro-6-methylpyridine-3-carboxylic acid;methyl 2-chloro-6-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carboxylate;methyl 2-chloro-6-formylpyridine-3-carboxylate;methyl 2-chloro-6-(hydroxyiminomethyl)pyridine-3-carboxylate;methyl 2-chloro-6-methylpyridine-3-carboxylate;methyl 2-chloro-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(prop-1-ynyl)stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylpyridine-3-carboxylic acid;methyl 2-chloro-6-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carboxylate;methyl 2-chloro-6-formylpyridine-3-carboxylate;methyl 2-chloro-6-(hydroxyiminomethyl)pyridine-3-carboxylate;methyl 2-chloro-6-methylpyridine-3-carboxylate;methyl 2-chloro-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(prop-1-ynyl)stannane?
The IUPAC name of 2-chloro-6-methylpyridine-3-carboxylic acid;methyl 2-chloro-6-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carboxylate;methyl 2-chloro-6-formylpyridine-3-carboxylate;methyl 2-chloro-6-(hydroxyiminomethyl)pyridine-3-carboxylate;methyl 2-chloro-6-methylpyridine-3-carboxylate;methyl 2-chloro-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(prop-1-ynyl)stannane (CID 161271894) is 2-chloro-6-methylpyridine-3-carboxylic acid;methyl 2-chloro-6-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carboxylate;methyl 2-chloro-6-formylpyridine-3-carboxylate;methyl 2-chloro-6-(hydroxyiminomethyl)pyridine-3-carboxylate;methyl 2-chloro-6-methylpyridine-3-carboxylate;methyl 2-chloro-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(prop-1-ynyl)stannane.
What is the SMILES notation for 2-chloro-6-methylpyridine-3-carboxylic acid;methyl 2-chloro-6-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carboxylate;methyl 2-chloro-6-formylpyridine-3-carboxylate;methyl 2-chloro-6-(hydroxyiminomethyl)pyridine-3-carboxylate;methyl 2-chloro-6-methylpyridine-3-carboxylate;methyl 2-chloro-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(prop-1-ynyl)stannane?
The canonical SMILES for 2-chloro-6-methylpyridine-3-carboxylic acid;methyl 2-chloro-6-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carboxylate;methyl 2-chloro-6-formylpyridine-3-carboxylate;methyl 2-chloro-6-(hydroxyiminomethyl)pyridine-3-carboxylate;methyl 2-chloro-6-methylpyridine-3-carboxylate;methyl 2-chloro-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(prop-1-ynyl)stannane is C=C(c1cc(C)cc(C(F)(F)F)c1)C(F)(F)F.CC#C[Sn](CCCC)(CCCC)CCCC.COC(=O)c1ccc(/C=C/N(C)C)nc1Cl.COC(=O)c1ccc(C)nc1Cl.COC(=O)c1ccc(C2=NOC(c3cc(C)cc(C(F)(F)F)c3)(C(F)(F)F)C2)nc1Cl.COC(=O)c1ccc(C=NO)nc1Cl.COC(=O)c1ccc(C=O)nc1Cl.Cc1ccc(C(=O)O)c(Cl)n1.
What is the InChIKey of 2-chloro-6-methylpyridine-3-carboxylic acid;methyl 2-chloro-6-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carboxylate;methyl 2-chloro-6-formylpyridine-3-carboxylate;methyl 2-chloro-6-(hydroxyiminomethyl)pyridine-3-carboxylate;methyl 2-chloro-6-methylpyridine-3-carboxylate;methyl 2-chloro-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(prop-1-ynyl)stannane?
The InChIKey is VDXWBISERUHOIC-JYEFRYCPSA-N. The full InChI is InChI=1S/C19H13ClF6N2O3.C11H13ClN2O2.C11H8F6.C8H7ClN2O3.C8H6ClNO3.C8H8ClNO2.C7H6ClNO2.3C4H9.C3H3.Sn/c1-9-5-10(7-11(6-9)18(21,22)23)17(19(24,25)26)8-14(28-31-17)13-4-3-12(15(20)27-13)16(29)30-2;1-14(2)7-6-8-4-5-9(10(12)13-8)11(15)16-3;1-6-3-8(7(2)10(12,13)14)5-9(4-6)11(15,16)17;1-14-8(12)6-3-2-5(4-10-13)11-7(6)9;1-13-8(12)6-3-2-5(4-11)10-7(6)9;1-5-3-4-6(7(9)10-5)8(11)12-2;1-4-2-3-5(7(10)11)6(8)9-4;3*1-3-4-2;1-3-2;/h3-7H,8H2,1-2H3;4-7H,1-3H3;3-5H,2H2,1H3;2-4,13H,1H3;2-4H,1H3;3-4H,1-2H3;2-3H,1H3,(H,10,11);3*1,3-4H2,2H3;1H3;/b;7-6+;;;;;;;;;;.
What are the key properties of 2-chloro-6-methylpyridine-3-carboxylic acid;methyl 2-chloro-6-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carboxylate;methyl 2-chloro-6-formylpyridine-3-carboxylate;methyl 2-chloro-6-(hydroxyiminomethyl)pyridine-3-carboxylate;methyl 2-chloro-6-methylpyridine-3-carboxylate;methyl 2-chloro-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(prop-1-ynyl)stannane?
2-chloro-6-methylpyridine-3-carboxylic acid;methyl 2-chloro-6-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carboxylate;methyl 2-chloro-6-formylpyridine-3-carboxylate;methyl 2-chloro-6-(hydroxyiminomethyl)pyridine-3-carboxylate;methyl 2-chloro-6-methylpyridine-3-carboxylate;methyl 2-chloro-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(prop-1-ynyl)stannane has a molecular weight of 2062.14 g/mol, XLogP of 23.71, 22 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylpyridine-3-carboxylic acid;methyl 2-chloro-6-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carboxylate;methyl 2-chloro-6-formylpyridine-3-carboxylate;methyl 2-chloro-6-(hydroxyiminomethyl)pyridine-3-carboxylate;methyl 2-chloro-6-methylpyridine-3-carboxylate;methyl 2-chloro-6-[5-[3-methyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyridine-3-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(prop-1-ynyl)stannane is sourced from PubChem (CID 161271894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).