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

C50H67Cl5F2N8O10Sn — CID 160884249

IUPAC4-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
SMILESC=C(C)[Sn](CCCC)(CCCC)CCCC.C=C(OCC)c1cc(N)c(Cl)c(C(=O)OC)n1.CC(F)(F)c1cc(N)c(Cl)c(C(=O)O)n1.COC(=O)c1nc(C(C)=O)cc(N)c1Cl.COC(=O)c1nc(Cl)cc(N)c1Cl
InChIInChI=1S/C11H13ClN2O3.C9H9ClN2O3.C8H7ClF2N2O2.C7H6Cl2N2O2.3C4H9.C3H5.Sn/c1-4-17-6(2)8-5-7(13)9(12)10(14-8)11(15)16-3;1-4(13)6-3-5(11)7(10)8(12-6)9(14)15-2;1-8(10,11)4-2-3(12)5(9)6(13-4)7(14)15;1-13-7(12)6-5(9)3(10)2-4(8)11-6;3*1-3-4-2;1-3-2;/h5H,2,4H2,1,3H3,(H2,13,14);3H,1-2H3,(H2,11,12);2H,1H3,(H2,12,13)(H,14,15);2H,1H3,(H2,10,11);3*1,3-4H2,2H3;1H2,2H3;
InChIKeySNKRZKXYUTXHMH-UHFFFAOYSA-N
MW1274.10 g/mol
LogP13.25
Rot. Bonds19

About 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

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 (PubChem CID 160884249) has the molecular formula C50H67Cl5F2N8O10Sn and a molecular weight of 1274.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID160884249
Molecular FormulaC50H67Cl5F2N8O10Sn
Molecular Weight1274.10 g/mol
Exact Mass1272.24
IUPAC Name4-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
SMILESC=C(C)[Sn](CCCC)(CCCC)CCCC.C=C(OCC)c1cc(N)c(Cl)c(C(=O)OC)n1.CC(F)(F)c1cc(N)c(Cl)c(C(=O)O)n1.COC(=O)c1nc(C(C)=O)cc(N)c1Cl.COC(=O)c1nc(Cl)cc(N)c1Cl
InChIInChI=1S/C11H13ClN2O3.C9H9ClN2O3.C8H7ClF2N2O2.C7H6Cl2N2O2.3C4H9.C3H5.Sn/c1-4-17-6(2)8-5-7(13)9(12)10(14-8)11(15)16-3;1-4(13)6-3-5(11)7(10)8(12-6)9(14)15-2;1-8(10,11)4-2-3(12)5(9)6(13-4)7(14)15;1-13-7(12)6-5(9)3(10)2-4(8)11-6;3*1-3-4-2;1-3-2;/h5H,2,4H2,1,3H3,(H2,13,14);3H,1-2H3,(H2,11,12);2H,1H3,(H2,12,13)(H,14,15);2H,1H3,(H2,10,11);3*1,3-4H2,2H3;1H2,2H3;
InChIKeySNKRZKXYUTXHMH-UHFFFAOYSA-N
XLogP13.25
TPSA298.14 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001274.10
LogP ≤ 513.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

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-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 with MolForge

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Related Compounds

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
1-[4-Amino-6-(trifluoromethyl)-2-pyridinyl]ethanol;1-[4-amino-6-(trifluoromethyl)-2-pyridinyl]ethanone;2-chloro-6-(trifluoromethyl)pyridin-4-amine
CID 158158543
Tert-butyl carbamate;ethyl 4-chloro-6-methylpyridine-2-carboxylate;ethyl 6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;methyl 6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;molecular hydrogen
CID 159086690
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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(C)[Sn](CCCC)(CCCC)CCCC.C=C(OCC)c1cc(N)c(Cl)c(C(=O)OC)n1.CC(F)(F)c1cc(N)c(Cl)c(C(=O)O)n1.COC(=O)c1nc(C(C)=O)cc(N)c1Cl.COC(=O)c1nc(Cl)cc(N)c1Cl.
What is the InChIKey of 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?
The InChIKey is SNKRZKXYUTXHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3.C9H9ClN2O3.C8H7ClF2N2O2.C7H6Cl2N2O2.3C4H9.C3H5.Sn/c1-4-17-6(2)8-5-7(13)9(12)10(14-8)11(15)16-3;1-4(13)6-3-5(11)7(10)8(12-6)9(14)15-2;1-8(10,11)4-2-3(12)5(9)6(13-4)7(14)15;1-13-7(12)6-5(9)3(10)2-4(8)11-6;3*1-3-4-2;1-3-2;/h5H,2,4H2,1,3H3,(H2,13,14);3H,1-2H3,(H2,11,12);2H,1H3,(H2,12,13)(H,14,15);2H,1H3,(H2,10,11);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-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?
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 has a molecular weight of 1274.10 g/mol, XLogP of 13.25, 19 rotatable bonds, 5 hydrogen bond donors, and 17 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-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 is sourced from PubChem (CID 160884249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).