2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid

C10H7ClN2O2S2 — CID 43166625

IUPAC2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
SMILESCc1csc(Sc2cc(C(=O)O)cc(Cl)n2)n1
InChIInChI=1S/C10H7ClN2O2S2/c1-5-4-16-10(12-5)17-8-3-6(9(14)15)2-7(11)13-8/h2-4H,1H3,(H,14,15)
InChIKeyAWJHZNAYDVCJQB-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.35
Rot. Bonds3

About 2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid

2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid (PubChem CID 43166625) has the molecular formula C10H7ClN2O2S2 and a molecular weight of 286.77 g/mol. Its IUPAC name is 2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
PubChem CID43166625
Molecular FormulaC10H7ClN2O2S2
Molecular Weight286.77 g/mol
Exact Mass285.96
IUPAC Name2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
SMILESCc1csc(Sc2cc(C(=O)O)cc(Cl)n2)n1
InChIInChI=1S/C10H7ClN2O2S2/c1-5-4-16-10(12-5)17-8-3-6(9(14)15)2-7(11)13-8/h2-4H,1H3,(H,14,15)
InChIKeyAWJHZNAYDVCJQB-UHFFFAOYSA-N
XLogP3.35
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(4-methylphenyl)sulfanylpyridine-4-carboxylic acid
CID 43166621
2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 62253629
2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid
CID 104602659
2,6-dichloropyridine-4-carboxylic acid;iron
CID 174504494
2-chloro-6-(2-methylpropylsulfanyl)pyridine-4-carboxylic acid
CID 43166634
2-chloro-6-(4-methylthiophen-2-yl)pyridine-4-carboxylic acid
CID 86257397
2-(2,6-difluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole
CID 164647838
2-bromo-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzoic acid
CID 107282647
2-chloro-6-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid
CID 79326598
2-tert-butyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80962639
2-[(2-chloro-4-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole
CID 63779009
[2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-pyridinyl]methanamine
CID 114769866

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid (CID 43166625) is 2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid is Cc1csc(Sc2cc(C(=O)O)cc(Cl)n2)n1.
What is the InChIKey of 2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid?
The InChIKey is AWJHZNAYDVCJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2S2/c1-5-4-16-10(12-5)17-8-3-6(9(14)15)2-7(11)13-8/h2-4H,1H3,(H,14,15).
What are the key properties of 2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid?
2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid has a molecular weight of 286.77 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 43166625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).