3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid

C12H10Cl2N2O2S — CID 61439995

IUPAC3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid
SMILESCN(Cc1ccc(Cl)s1)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C12H10Cl2N2O2S/c1-16(6-7-2-4-9(14)19-7)10-5-3-8(13)11(15-10)12(17)18/h2-5H,6H2,1H3,(H,17,18)
InChIKeyYPHBLLLUFIODIB-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.78
Rot. Bonds4

About 3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid

3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid (PubChem CID 61439995) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is 3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid
PubChem CID61439995
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid
SMILESCN(Cc1ccc(Cl)s1)c1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C12H10Cl2N2O2S/c1-16(6-7-2-4-9(14)19-7)10-5-3-8(13)11(15-10)12(17)18/h2-5H,6H2,1H3,(H,17,18)
InChIKeyYPHBLLLUFIODIB-UHFFFAOYSA-N
XLogP3.78
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 63586888
3-chloro-6-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-2-carboxylic acid
CID 61452600
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 55112363
3-chloro-6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 105418695
3-chloro-6-[methyl(pentan-3-yl)amino]pyridine-2-carboxylic acid
CID 43571486
3-chloro-6-[methyl(2-methylbutan-2-yl)amino]pyridine-2-carboxylic acid
CID 63958296
6-[(5-chlorothiophen-2-yl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 61442236
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-methylbenzoic acid
CID 62136632
3-[(5-chlorothiophen-2-yl)methyl-methylamino]benzoic acid
CID 102822767
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715602
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]quinolin-4-yl]methanol
CID 61442554
3-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-2-carboxylic acid
CID 63707725

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid (CID 61439995) is 3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid is CN(Cc1ccc(Cl)s1)c1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid?
The InChIKey is YPHBLLLUFIODIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c1-16(6-7-2-4-9(14)19-7)10-5-3-8(13)11(15-10)12(17)18/h2-5H,6H2,1H3,(H,17,18).
What are the key properties of 3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid?
3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid has a molecular weight of 317.20 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 61439995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).