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

C14H9ClN2O2S — CID 114920158

IUPAC5-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Sc2cc3ccccc3[nH]2)ncc1Cl
InChIInChI=1S/C14H9ClN2O2S/c15-10-7-16-12(6-9(10)14(18)19)20-13-5-8-3-1-2-4-11(8)17-13/h1-7,17H,(H,18,19)
InChIKeyUDLPETKAFUTMPZ-UHFFFAOYSA-N
MW304.76 g/mol
LogP4.07
Rot. Bonds3

About 5-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid

5-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid (PubChem CID 114920158) has the molecular formula C14H9ClN2O2S and a molecular weight of 304.76 g/mol. Its IUPAC name is 5-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid
PubChem CID114920158
Molecular FormulaC14H9ClN2O2S
Molecular Weight304.76 g/mol
Exact Mass304.01
IUPAC Name5-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Sc2cc3ccccc3[nH]2)ncc1Cl
InChIInChI=1S/C14H9ClN2O2S/c15-10-7-16-12(6-9(10)14(18)19)20-13-5-8-3-1-2-4-11(8)17-13/h1-7,17H,(H,18,19)
InChIKeyUDLPETKAFUTMPZ-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-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid
CID 114920104
3-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid
CID 107063811
5-chloro-2-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid
CID 114920118
5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid
CID 114920125
4-(1H-indol-2-ylsulfanyl)-2-methylbenzoic acid
CID 81294256
5-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid
CID 107779233
1-[2-(1H-indol-2-ylsulfanyl)-3-pyridinyl]ethanone
CID 114055727
4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
CID 80891404
1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine
CID 80651602
5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-4-carboxylic acid
CID 114920084
2-chloro-6-(1H-indol-2-ylsulfanyl)pyridine-4-carbonitrile
CID 83077192
5-chloro-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 137013138

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid (CID 114920158) is 5-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid is O=C(O)c1cc(Sc2cc3ccccc3[nH]2)ncc1Cl.
What is the InChIKey of 5-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid?
The InChIKey is UDLPETKAFUTMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2S/c15-10-7-16-12(6-9(10)14(18)19)20-13-5-8-3-1-2-4-11(8)17-13/h1-7,17H,(H,18,19).
What are the key properties of 5-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid?
5-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 5-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 114920158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).