1-[(3-chloro-4-pyridinyl)methyl]-2-oxo-3H-indole-5-carboxylic acid

C15H11ClN2O3 — CID 102711151

IUPAC1-[(3-chloro-4-pyridinyl)methyl]-2-oxo-3H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC(=O)N2Cc1ccncc1Cl
InChIInChI=1S/C15H11ClN2O3/c16-12-7-17-4-3-10(12)8-18-13-2-1-9(15(20)21)5-11(13)6-14(18)19/h1-5,7H,6,8H2,(H,20,21)
InChIKeyVSQQHNKHZMKRGL-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.52
Rot. Bonds3

About 1-[(3-chloro-4-pyridinyl)methyl]-2-oxo-3H-indole-5-carboxylic acid

1-[(3-chloro-4-pyridinyl)methyl]-2-oxo-3H-indole-5-carboxylic acid (PubChem CID 102711151) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 1-[(3-chloro-4-pyridinyl)methyl]-2-oxo-3H-indole-5-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloro-4-pyridinyl)methyl]-2-oxo-3H-indole-5-carboxylic acid
PubChem CID102711151
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name1-[(3-chloro-4-pyridinyl)methyl]-2-oxo-3H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC(=O)N2Cc1ccncc1Cl
InChIInChI=1S/C15H11ClN2O3/c16-12-7-17-4-3-10(12)8-18-13-2-1-9(15(20)21)5-11(13)6-14(18)19/h1-5,7H,6,8H2,(H,20,21)
InChIKeyVSQQHNKHZMKRGL-UHFFFAOYSA-N
XLogP2.52
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-acetyl-2-oxo-3H-indol-1-yl)methyl]benzoic acid
CID 84758253
2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid
CID 102711258
1-[(3-chloro-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82897352
1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711155
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid
CID 102711144
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid
CID 102711143
1-(2-methylprop-2-enyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711163
1-benzyl-2-oxo-3H-indole-5-carboxamide
CID 122479775
2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid
CID 102711222
5-acetyl-1-[(4-aminophenyl)methyl]-3H-indol-2-one
CID 84758268
1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid
CID 102711203
1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711072

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-pyridinyl)methyl]-2-oxo-3H-indole-5-carboxylic acid?
The IUPAC name of 1-[(3-chloro-4-pyridinyl)methyl]-2-oxo-3H-indole-5-carboxylic acid (CID 102711151) is 1-[(3-chloro-4-pyridinyl)methyl]-2-oxo-3H-indole-5-carboxylic acid.
What is the SMILES notation for 1-[(3-chloro-4-pyridinyl)methyl]-2-oxo-3H-indole-5-carboxylic acid?
The canonical SMILES for 1-[(3-chloro-4-pyridinyl)methyl]-2-oxo-3H-indole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CC(=O)N2Cc1ccncc1Cl.
What is the InChIKey of 1-[(3-chloro-4-pyridinyl)methyl]-2-oxo-3H-indole-5-carboxylic acid?
The InChIKey is VSQQHNKHZMKRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-12-7-17-4-3-10(12)8-18-13-2-1-9(15(20)21)5-11(13)6-14(18)19/h1-5,7H,6,8H2,(H,20,21).
What are the key properties of 1-[(3-chloro-4-pyridinyl)methyl]-2-oxo-3H-indole-5-carboxylic acid?
1-[(3-chloro-4-pyridinyl)methyl]-2-oxo-3H-indole-5-carboxylic acid has a molecular weight of 302.72 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-pyridinyl)methyl]-2-oxo-3H-indole-5-carboxylic acid is sourced from PubChem (CID 102711151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).