4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylic acid;methyl 6-acetyl-3,4-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1-ethoxyethenyl)pyridine-2-carboxylate;methyl 3,4,6-trichloropyridine-2-carboxylate;tributyl(prop-1-en-2-yl)stannane

C68H77Cl11F6N8O14Sn — CID 157243286

IUPAC4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylic acid;methyl 6-acetyl-3,4-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1-ethoxyethenyl)pyridine-2-carboxylate;methyl 3,4,6-trichloropyridine-2-carboxylate;tributyl(prop-1-en-2-yl)stannane
SMILESC=C(C)[Sn](CCCC)(CCCC)CCCC.C=C(OCC)c1cc(Cl)c(Cl)c(C(=O)OC)n1.CC(F)(F)c1cc(N)c(Cl)c(C(=O)O)n1.COC(=O)c1nc(C(C)(F)F)cc(Cl)c1Cl.COC(=O)c1nc(C(C)(F)F)cc(N)c1Cl.COC(=O)c1nc(C(C)=O)cc(Cl)c1Cl.COC(=O)c1nc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2NO3.C9H7Cl2F2NO2.C9H7Cl2NO3.C9H9ClF2N2O2.C8H7ClF2N2O2.C7H4Cl3NO2.3C4H9.C3H5.Sn/c1-4-17-6(2)8-5-7(12)9(13)10(14-8)11(15)16-3;1-9(12,13)5-3-4(10)6(11)7(14-5)8(15)16-2;1-4(13)6-3-5(10)7(11)8(12-6)9(14)15-2;1-9(11,12)5-3-4(13)6(10)7(14-5)8(15)16-2;1-8(10,11)4-2-3(12)5(9)6(13-4)7(14)15;1-13-7(12)6-5(10)3(8)2-4(9)11-6;3*1-3-4-2;1-3-2;/h5H,2,4H2,1,3H3;3H,1-2H3;3H,1-2H3;3H,1-2H3,(H2,13,14);2H,1H3,(H2,12,13)(H,14,15);2H,1H3;3*1,3-4H2,2H3;1H2,2H3;
InChIKeyAVLPBCORCNIDQJ-UHFFFAOYSA-N
MW1853.09 g/mol
LogP21.97
Rot. Bonds23

About 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylic acid;methyl 6-acetyl-3,4-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1-ethoxyethenyl)pyridine-2-carboxylate;methyl 3,4,6-trichloropyridine-2-carboxylate;tributyl(prop-1-en-2-yl)stannane

4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylic acid;methyl 6-acetyl-3,4-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1-ethoxyethenyl)pyridine-2-carboxylate;methyl 3,4,6-trichloropyridine-2-carboxylate;tributyl(prop-1-en-2-yl)stannane (PubChem CID 157243286) has the molecular formula C68H77Cl11F6N8O14Sn and a molecular weight of 1853.09 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylic acid;methyl 6-acetyl-3,4-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1-ethoxyethenyl)pyridine-2-carboxylate;methyl 3,4,6-trichloropyridine-2-carboxylate;tributyl(prop-1-en-2-yl)stannane.

Molecular Properties

Compound Name4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylic acid;methyl 6-acetyl-3,4-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1-ethoxyethenyl)pyridine-2-carboxylate;methyl 3,4,6-trichloropyridine-2-carboxylate;tributyl(prop-1-en-2-yl)stannane
PubChem CID157243286
Molecular FormulaC68H77Cl11F6N8O14Sn
Molecular Weight1853.09 g/mol
Exact Mass1848.11
IUPAC Name4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylic acid;methyl 6-acetyl-3,4-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1-ethoxyethenyl)pyridine-2-carboxylate;methyl 3,4,6-trichloropyridine-2-carboxylate;tributyl(prop-1-en-2-yl)stannane
SMILESC=C(C)[Sn](CCCC)(CCCC)CCCC.C=C(OCC)c1cc(Cl)c(Cl)c(C(=O)OC)n1.CC(F)(F)c1cc(N)c(Cl)c(C(=O)O)n1.COC(=O)c1nc(C(C)(F)F)cc(Cl)c1Cl.COC(=O)c1nc(C(C)(F)F)cc(N)c1Cl.COC(=O)c1nc(C(C)=O)cc(Cl)c1Cl.COC(=O)c1nc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2NO3.C9H7Cl2F2NO2.C9H7Cl2NO3.C9H9ClF2N2O2.C8H7ClF2N2O2.C7H4Cl3NO2.3C4H9.C3H5.Sn/c1-4-17-6(2)8-5-7(12)9(13)10(14-8)11(15)16-3;1-9(12,13)5-3-4(10)6(11)7(14-5)8(15)16-2;1-4(13)6-3-5(10)7(11)8(12-6)9(14)15-2;1-9(11,12)5-3-4(13)6(10)7(14-5)8(15)16-2;1-8(10,11)4-2-3(12)5(9)6(13-4)7(14)15;1-13-7(12)6-5(10)3(8)2-4(9)11-6;3*1-3-4-2;1-3-2;/h5H,2,4H2,1,3H3;3H,1-2H3;3H,1-2H3;3H,1-2H3,(H2,13,14);2H,1H3,(H2,12,13)(H,14,15);2H,1H3;3*1,3-4H2,2H3;1H2,2H3;
InChIKeyAVLPBCORCNIDQJ-UHFFFAOYSA-N
XLogP21.97
TPSA324.48 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds23
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001853.09
LogP ≤ 521.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylic acid;methyl 6-acetyl-3,4-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1-ethoxyethenyl)pyridine-2-carboxylate;methyl 3,4,6-trichloropyridine-2-carboxylate;tributyl(prop-1-en-2-yl)stannane with MolForge

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Related Compounds

4-Amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylic acid;methyl 6-acetyl-4-amino-3-chloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(1-ethoxyethenyl)pyridine-2-carboxylate;methyl 4-amino-3,6-dichloropyridine-2-carboxylate;tributyl(prop-1-en-2-yl)stannane
CID 160884249
Propan-2-yl 4-chloro-5,6-difluoropyridine-2-carboxylate;propan-2-yl 5-chloro-4,6-difluoropyridine-2-carboxylate;propan-2-yl 6-chloro-4,5-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate
CID 157145376
Propan-2-yl 3,4,5,6-tetrafluoropyridine-2-carboxylate;3,4,5,6-tetrachloropyridine-2-carbonyl chloride;3,4,5,6-tetrafluoropyridine-2-carbonyl fluoride;4,5,6-trichloropyridine-2-carbonyl chloride;4,5,6-trifluoropyridine-2-carbonyl fluoride;4,5,6-trifluoropyridine-2-carboxylic acid;hydrate
CID 157656220
1-[4-Amino-3-chloro-6-(4-chloro-3-fluorophenyl)-5-fluoro-2-pyridinyl]ethanone;4-amino-6-(4-chloro-3-fluorophenyl)-3-ethenyl-5-fluoropyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-3-fluorophenyl)-3-ethenyl-5-fluoropyridine-2-carboxylate
CID 161752078
Diiodomethane;diiodovanadium;iodomethane;methane;methyl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;methyl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;propan-2-yl 4-amino-5,6-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;triiodovanadium
CID 161857543
Diiodomethane;diiodovanadium;iodomethane;methane;methyl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;methyl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4-amino-6-chloro-5-fluoropyridine-2-carboxylate;propan-2-yl 4-amino-5,6-difluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trichloropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;triiodovanadium
CID 162121113

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylic acid;methyl 6-acetyl-3,4-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1-ethoxyethenyl)pyridine-2-carboxylate;methyl 3,4,6-trichloropyridine-2-carboxylate;tributyl(prop-1-en-2-yl)stannane?
The IUPAC name of 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylic acid;methyl 6-acetyl-3,4-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1-ethoxyethenyl)pyridine-2-carboxylate;methyl 3,4,6-trichloropyridine-2-carboxylate;tributyl(prop-1-en-2-yl)stannane (CID 157243286) is 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylic acid;methyl 6-acetyl-3,4-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1-ethoxyethenyl)pyridine-2-carboxylate;methyl 3,4,6-trichloropyridine-2-carboxylate;tributyl(prop-1-en-2-yl)stannane.
What is the SMILES notation for 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylic acid;methyl 6-acetyl-3,4-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1-ethoxyethenyl)pyridine-2-carboxylate;methyl 3,4,6-trichloropyridine-2-carboxylate;tributyl(prop-1-en-2-yl)stannane?
The canonical SMILES for 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylic acid;methyl 6-acetyl-3,4-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1-ethoxyethenyl)pyridine-2-carboxylate;methyl 3,4,6-trichloropyridine-2-carboxylate;tributyl(prop-1-en-2-yl)stannane is C=C(C)[Sn](CCCC)(CCCC)CCCC.C=C(OCC)c1cc(Cl)c(Cl)c(C(=O)OC)n1.CC(F)(F)c1cc(N)c(Cl)c(C(=O)O)n1.COC(=O)c1nc(C(C)(F)F)cc(Cl)c1Cl.COC(=O)c1nc(C(C)(F)F)cc(N)c1Cl.COC(=O)c1nc(C(C)=O)cc(Cl)c1Cl.COC(=O)c1nc(Cl)cc(Cl)c1Cl.
What is the InChIKey of 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylic acid;methyl 6-acetyl-3,4-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1-ethoxyethenyl)pyridine-2-carboxylate;methyl 3,4,6-trichloropyridine-2-carboxylate;tributyl(prop-1-en-2-yl)stannane?
The InChIKey is AVLPBCORCNIDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3.C9H7Cl2F2NO2.C9H7Cl2NO3.C9H9ClF2N2O2.C8H7ClF2N2O2.C7H4Cl3NO2.3C4H9.C3H5.Sn/c1-4-17-6(2)8-5-7(12)9(13)10(14-8)11(15)16-3;1-9(12,13)5-3-4(10)6(11)7(14-5)8(15)16-2;1-4(13)6-3-5(10)7(11)8(12-6)9(14)15-2;1-9(11,12)5-3-4(13)6(10)7(14-5)8(15)16-2;1-8(10,11)4-2-3(12)5(9)6(13-4)7(14)15;1-13-7(12)6-5(10)3(8)2-4(9)11-6;3*1-3-4-2;1-3-2;/h5H,2,4H2,1,3H3;3H,1-2H3;3H,1-2H3;3H,1-2H3,(H2,13,14);2H,1H3,(H2,12,13)(H,14,15);2H,1H3;3*1,3-4H2,2H3;1H2,2H3;.
What are the key properties of 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylic acid;methyl 6-acetyl-3,4-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1-ethoxyethenyl)pyridine-2-carboxylate;methyl 3,4,6-trichloropyridine-2-carboxylate;tributyl(prop-1-en-2-yl)stannane?
4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylic acid;methyl 6-acetyl-3,4-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1-ethoxyethenyl)pyridine-2-carboxylate;methyl 3,4,6-trichloropyridine-2-carboxylate;tributyl(prop-1-en-2-yl)stannane has a molecular weight of 1853.09 g/mol, XLogP of 21.97, 23 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylic acid;methyl 6-acetyl-3,4-dichloropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1,1-difluoroethyl)pyridine-2-carboxylate;methyl 3,4-dichloro-6-(1-ethoxyethenyl)pyridine-2-carboxylate;methyl 3,4,6-trichloropyridine-2-carboxylate;tributyl(prop-1-en-2-yl)stannane is sourced from PubChem (CID 157243286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).