3-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid

C14H9ClN2O2S — CID 107063811

IUPAC3-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Sc2cc3ccccc3[nH]2)c1Cl
InChIInChI=1S/C14H9ClN2O2S/c15-12-9(14(18)19)5-6-16-13(12)20-11-7-8-3-1-2-4-10(8)17-11/h1-7,17H,(H,18,19)
InChIKeyZZVPUDBGMBYKKF-UHFFFAOYSA-N
MW304.76 g/mol
LogP4.07
Rot. Bonds3

About 3-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid

3-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid (PubChem CID 107063811) has the molecular formula C14H9ClN2O2S and a molecular weight of 304.76 g/mol. Its IUPAC name is 3-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid
PubChem CID107063811
Molecular FormulaC14H9ClN2O2S
Molecular Weight304.76 g/mol
Exact Mass304.01
IUPAC Name3-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Sc2cc3ccccc3[nH]2)c1Cl
InChIInChI=1S/C14H9ClN2O2S/c15-12-9(14(18)19)5-6-16-13(12)20-11-7-8-3-1-2-4-10(8)17-11/h1-7,17H,(H,18,19)
InChIKeyZZVPUDBGMBYKKF-UHFFFAOYSA-N
XLogP4.07
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid
CID 114920158
1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone
CID 114055727
3-chloro-2-pyrimidin-2-ylsulfanylpyridine-4-carboxylic acid
CID 107063696
5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine
CID 114049989
3-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid
CID 107063739
4-(1H-indol-2-ylsulfanyl)-2-methylbenzoic acid
CID 81294256
3-chloro-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 136739901
5-amino-6-(1H-indol-2-ylsulfanyl)pyridine-2-carboxamide
CID 114409781
2-tert-butylsulfanyl-3-chloropyridine-4-carboxylic acid
CID 107063650
4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
CID 80891404
3-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-4-carboxylic acid
CID 107063707
[6-(1H-indol-2-ylsulfanyl)-5-methyl-3-pyridinyl]methanol
CID 80651696

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid (CID 107063811) is 3-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(Sc2cc3ccccc3[nH]2)c1Cl.
What is the InChIKey of 3-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid?
The InChIKey is ZZVPUDBGMBYKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2S/c15-12-9(14(18)19)5-6-16-13(12)20-11-7-8-3-1-2-4-10(8)17-11/h1-7,17H,(H,18,19).
What are the key properties of 3-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid?
3-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid has a molecular weight of 304.76 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 107063811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).