2-chloro-1-(4-fluorophenyl)-6-methoxyindole-3-carboxylic acid

C16H11ClFNO3 — CID 66920511

IUPAC2-chloro-1-(4-fluorophenyl)-6-methoxyindole-3-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)c(Cl)n(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C16H11ClFNO3/c1-22-11-6-7-12-13(8-11)19(15(17)14(12)16(20)21)10-4-2-9(18)3-5-10/h2-8H,1H3,(H,20,21)
InChIKeyQQJNFVZNRKOZJL-UHFFFAOYSA-N
MW319.72 g/mol
LogP4.13
Rot. Bonds3

About 2-chloro-1-(4-fluorophenyl)-6-methoxyindole-3-carboxylic acid

2-chloro-1-(4-fluorophenyl)-6-methoxyindole-3-carboxylic acid (PubChem CID 66920511) has the molecular formula C16H11ClFNO3 and a molecular weight of 319.72 g/mol. Its IUPAC name is 2-chloro-1-(4-fluorophenyl)-6-methoxyindole-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-1-(4-fluorophenyl)-6-methoxyindole-3-carboxylic acid
PubChem CID66920511
Molecular FormulaC16H11ClFNO3
Molecular Weight319.72 g/mol
Exact Mass319.04
IUPAC Name2-chloro-1-(4-fluorophenyl)-6-methoxyindole-3-carboxylic acid
SMILESCOc1ccc2c(C(=O)O)c(Cl)n(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C16H11ClFNO3/c1-22-11-6-7-12-13(8-11)19(15(17)14(12)16(20)21)10-4-2-9(18)3-5-10/h2-8H,1H3,(H,20,21)
InChIKeyQQJNFVZNRKOZJL-UHFFFAOYSA-N
XLogP4.13
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-1-(4-methoxyphenyl)-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid
CID 19783731
[2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenylindol-3-yl]-piperazin-1-ylmethanone
CID 52946960
7-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole-10-carboxylic acid
CID 84632187
1-(4-methoxyphenyl)-2-methylindole-3-carboxylic acid
CID 172684717
N-(3,5-difluorophenyl)-4-hydroxy-7-methoxy-1-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide
CID 139890824
1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
CID 117124258
3-acetyl-6-methoxy-1-methylindole-2-carboxylic acid
CID 84632711
9-[4-[[4-(2,7-dimethoxycarbazol-9-yl)phenyl]disulfanyl]phenyl]-2,7-dimethoxycarbazole
CID 177244536
1-[1-(4-fluorophenyl)-5-methoxyindol-2-yl]-2-iodoethanone
CID 170307381
methyl 3-[[(4-fluorobenzoyl)amino]methyl]-7-methoxy-4-oxo-1-phenylquinoline-2-carboxylate
CID 71208938
[2-[(3-fluoro-2-methylphenyl)methyl]-6-methoxy-1-phenylindol-3-yl]-piperazin-1-ylmethanone
CID 52943410
6-methoxy-1,2-dimethylindole-3-carboxamide
CID 71165672

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-fluorophenyl)-6-methoxyindole-3-carboxylic acid?
The IUPAC name of 2-chloro-1-(4-fluorophenyl)-6-methoxyindole-3-carboxylic acid (CID 66920511) is 2-chloro-1-(4-fluorophenyl)-6-methoxyindole-3-carboxylic acid.
What is the SMILES notation for 2-chloro-1-(4-fluorophenyl)-6-methoxyindole-3-carboxylic acid?
The canonical SMILES for 2-chloro-1-(4-fluorophenyl)-6-methoxyindole-3-carboxylic acid is COc1ccc2c(C(=O)O)c(Cl)n(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 2-chloro-1-(4-fluorophenyl)-6-methoxyindole-3-carboxylic acid?
The InChIKey is QQJNFVZNRKOZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO3/c1-22-11-6-7-12-13(8-11)19(15(17)14(12)16(20)21)10-4-2-9(18)3-5-10/h2-8H,1H3,(H,20,21).
What are the key properties of 2-chloro-1-(4-fluorophenyl)-6-methoxyindole-3-carboxylic acid?
2-chloro-1-(4-fluorophenyl)-6-methoxyindole-3-carboxylic acid has a molecular weight of 319.72 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-fluorophenyl)-6-methoxyindole-3-carboxylic acid is sourced from PubChem (CID 66920511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).