2-chloro-9H-carbazole-1-carboxylic acid

C13H8ClNO2 — CID 174862025

IUPAC2-chloro-9H-carbazole-1-carboxylic acid
SMILESO=C(O)c1c(Cl)ccc2c1[nH]c1ccccc12
InChIInChI=1S/C13H8ClNO2/c14-9-6-5-8-7-3-1-2-4-10(7)15-12(8)11(9)13(16)17/h1-6,15H,(H,16,17)
InChIKeySRWQIQBAUDBYNW-UHFFFAOYSA-N
MW245.67 g/mol
LogP3.67
Rot. Bonds1

About 2-chloro-9H-carbazole-1-carboxylic acid

2-chloro-9H-carbazole-1-carboxylic acid (PubChem CID 174862025) has the molecular formula C13H8ClNO2 and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-chloro-9H-carbazole-1-carboxylic acid.

Molecular Properties

Compound Name2-chloro-9H-carbazole-1-carboxylic acid
PubChem CID174862025
Molecular FormulaC13H8ClNO2
Molecular Weight245.67 g/mol
Exact Mass245.02
IUPAC Name2-chloro-9H-carbazole-1-carboxylic acid
SMILESO=C(O)c1c(Cl)ccc2c1[nH]c1ccccc12
InChIInChI=1S/C13H8ClNO2/c14-9-6-5-8-7-3-1-2-4-10(7)15-12(8)11(9)13(16)17/h1-6,15H,(H,16,17)
InChIKeySRWQIQBAUDBYNW-UHFFFAOYSA-N
XLogP3.67
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-9H-carbazole-3,4-dicarboxylic acid
CID 67894705
2-chloro-1-methyl-9H-carbazole
CID 154342995
2-(9H-carbazole-1-carbonyl)benzoic acid
CID 54401477
(2-amino-9H-carbazol-1-yl)-phenylmethanone
CID 154352677
9H-carbazole;carbonic acid
CID 67577328
2-(1-methyl-9H-carbazol-2-yl)acetic acid
CID 54249777
benzoic acid;9H-carbazole
CID 162147282
3,4-dichloro-10H-acridin-9-one
CID 138629142
2-methyl-4H-thieno[3,2-b]indole-3-carboxylic acid
CID 12839105
CID 11251659
CID 11251659
(4-chlorophenyl)-(1-hydroxy-9H-carbazol-2-yl)methanone
CID 139187068
1-phenyl-9H-carbazole-2-carboxamide
CID 174872973

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9H-carbazole-1-carboxylic acid?
The IUPAC name of 2-chloro-9H-carbazole-1-carboxylic acid (CID 174862025) is 2-chloro-9H-carbazole-1-carboxylic acid.
What is the SMILES notation for 2-chloro-9H-carbazole-1-carboxylic acid?
The canonical SMILES for 2-chloro-9H-carbazole-1-carboxylic acid is O=C(O)c1c(Cl)ccc2c1[nH]c1ccccc12.
What is the InChIKey of 2-chloro-9H-carbazole-1-carboxylic acid?
The InChIKey is SRWQIQBAUDBYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO2/c14-9-6-5-8-7-3-1-2-4-10(7)15-12(8)11(9)13(16)17/h1-6,15H,(H,16,17).
What are the key properties of 2-chloro-9H-carbazole-1-carboxylic acid?
2-chloro-9H-carbazole-1-carboxylic acid has a molecular weight of 245.67 g/mol, XLogP of 3.67, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9H-carbazole-1-carboxylic acid is sourced from PubChem (CID 174862025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).