5-chloro-2-[(1-methyl-7-phenylindol-5-yl)methyl]pyridine-3-carboxylic acid

C22H17ClN2O2 — CID 158131529

IUPAC5-chloro-2-[(1-methyl-7-phenylindol-5-yl)methyl]pyridine-3-carboxylic acid
SMILESCn1ccc2cc(Cc3ncc(Cl)cc3C(=O)O)cc(-c3ccccc3)c21
InChIInChI=1S/C22H17ClN2O2/c1-25-8-7-16-9-14(10-18(21(16)25)15-5-3-2-4-6-15)11-20-19(22(26)27)12-17(23)13-24-20/h2-10,12-13H,11H2,1H3,(H,26,27)
InChIKeyVWKQTJLQNJBEAX-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.18
Rot. Bonds4

About 5-chloro-2-[(1-methyl-7-phenylindol-5-yl)methyl]pyridine-3-carboxylic acid

5-chloro-2-[(1-methyl-7-phenylindol-5-yl)methyl]pyridine-3-carboxylic acid (PubChem CID 158131529) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is 5-chloro-2-[(1-methyl-7-phenylindol-5-yl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[(1-methyl-7-phenylindol-5-yl)methyl]pyridine-3-carboxylic acid
PubChem CID158131529
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC Name5-chloro-2-[(1-methyl-7-phenylindol-5-yl)methyl]pyridine-3-carboxylic acid
SMILESCn1ccc2cc(Cc3ncc(Cl)cc3C(=O)O)cc(-c3ccccc3)c21
InChIInChI=1S/C22H17ClN2O2/c1-25-8-7-16-9-14(10-18(21(16)25)15-5-3-2-4-6-15)11-20-19(22(26)27)12-17(23)13-24-20/h2-10,12-13H,11H2,1H3,(H,26,27)
InChIKeyVWKQTJLQNJBEAX-UHFFFAOYSA-N
XLogP5.18
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[7-(cyclohexen-1-yl)-1-methylindol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid
CID 158294578
5-cyclopropyl-2-[(7-phenyl-1H-indol-5-yl)methyl]pyridine-3-carboxylic acid;methyl 5-cyclopropyl-2-[(7-phenyl-1H-indol-5-yl)methyl]pyridine-3-carboxylate
CID 161341013
1,5-dimethylindole-7-carboxylic acid
CID 83946044
2-benzyl-5-chloro-N,N-dimethylpyridine-3-carbothioamide
CID 57068846
5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid
CID 90153017
2-[[7-(2-chlorophenyl)-1-methylindol-5-yl]amino]-5-cyclopropylpyridine-3-carboxylic acid
CID 90152745
1-methyl-5-nitro-7-phenylindole
CID 90152995
5-amino-1-methylindole-7-carboxylic acid
CID 83483770
5-cyclopropyl-2-[(1-propan-2-ylindol-5-yl)methyl]pyridine-3-carboxylic acid
CID 157373136
5-cyclopropyl-2-[[7-(2-hydroxyphenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid
CID 90152753
5-chloro-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]indazole-7-carboxylic acid
CID 166161768
5-cyclopropyl-2-[[3-(2-methoxyphenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid
CID 159437384

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1-methyl-7-phenylindol-5-yl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-2-[(1-methyl-7-phenylindol-5-yl)methyl]pyridine-3-carboxylic acid (CID 158131529) is 5-chloro-2-[(1-methyl-7-phenylindol-5-yl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[(1-methyl-7-phenylindol-5-yl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-2-[(1-methyl-7-phenylindol-5-yl)methyl]pyridine-3-carboxylic acid is Cn1ccc2cc(Cc3ncc(Cl)cc3C(=O)O)cc(-c3ccccc3)c21.
What is the InChIKey of 5-chloro-2-[(1-methyl-7-phenylindol-5-yl)methyl]pyridine-3-carboxylic acid?
The InChIKey is VWKQTJLQNJBEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c1-25-8-7-16-9-14(10-18(21(16)25)15-5-3-2-4-6-15)11-20-19(22(26)27)12-17(23)13-24-20/h2-10,12-13H,11H2,1H3,(H,26,27).
What are the key properties of 5-chloro-2-[(1-methyl-7-phenylindol-5-yl)methyl]pyridine-3-carboxylic acid?
5-chloro-2-[(1-methyl-7-phenylindol-5-yl)methyl]pyridine-3-carboxylic acid has a molecular weight of 376.84 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1-methyl-7-phenylindol-5-yl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 158131529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).