1H-indole-7-carboxylic acid;hydrochloride

C9H8ClNO2 — CID 67635723

IUPAC1H-indole-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccc2cc[nH]c12
InChIInChI=1S/C9H7NO2.ClH/c11-9(12)7-3-1-2-6-4-5-10-8(6)7;/h1-5,10H,(H,11,12);1H
InChIKeyWXUVJLLGVUYYRU-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.29
Rot. Bonds1

About 1H-indole-7-carboxylic acid;hydrochloride

1H-indole-7-carboxylic acid;hydrochloride (PubChem CID 67635723) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 1H-indole-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1H-indole-7-carboxylic acid;hydrochloride
PubChem CID67635723
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name1H-indole-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccc2cc[nH]c12
InChIInChI=1S/C9H7NO2.ClH/c11-9(12)7-3-1-2-6-4-5-10-8(6)7;/h1-5,10H,(H,11,12);1H
InChIKeyWXUVJLLGVUYYRU-UHFFFAOYSA-N
XLogP2.29
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

azane;1H-indole-7-carboxamide
CID 174982702
sodium 1H-indole-7-carbonylazanide
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methyl 1H-indole-7-carboxylate;hydrochloride
CID 175318571
2-amino-3-hydroxybenzoic acid;1H-indol-7-ol
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(3-bromophenyl)-(1H-indol-7-yl)methanone
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1-(1H-indole-7-carbonyl)piperidin-4-one
CID 112531297
(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone
CID 106671264
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide
CID 103945364
2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006316
(2S)-2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
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N-carbamimidoyl-N-methyl-1H-indole-7-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1H-indole-7-carboxylic acid;hydrochloride?
The IUPAC name of 1H-indole-7-carboxylic acid;hydrochloride (CID 67635723) is 1H-indole-7-carboxylic acid;hydrochloride.
What is the SMILES notation for 1H-indole-7-carboxylic acid;hydrochloride?
The canonical SMILES for 1H-indole-7-carboxylic acid;hydrochloride is Cl.O=C(O)c1cccc2cc[nH]c12.
What is the InChIKey of 1H-indole-7-carboxylic acid;hydrochloride?
The InChIKey is WXUVJLLGVUYYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2.ClH/c11-9(12)7-3-1-2-6-4-5-10-8(6)7;/h1-5,10H,(H,11,12);1H.
What are the key properties of 1H-indole-7-carboxylic acid;hydrochloride?
1H-indole-7-carboxylic acid;hydrochloride has a molecular weight of 197.62 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 67635723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).