3-bromoquinoline-4-carboxylic acid

C10H6BrNO2 — CID 119083564

IUPAC3-bromoquinoline-4-carboxylic acid
SMILESO=C(O)c1c(Br)cnc2ccccc12
InChIInChI=1S/C10H6BrNO2/c11-7-5-12-8-4-2-1-3-6(8)9(7)10(13)14/h1-5H,(H,13,14)
InChIKeyPPRTZXNLFVNWGC-UHFFFAOYSA-N
MW252.07 g/mol
LogP2.70
Rot. Bonds1

About 3-bromoquinoline-4-carboxylic acid

3-bromoquinoline-4-carboxylic acid (PubChem CID 119083564) has the molecular formula C10H6BrNO2 and a molecular weight of 252.07 g/mol. Its IUPAC name is 3-bromoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-bromoquinoline-4-carboxylic acid
PubChem CID119083564
Molecular FormulaC10H6BrNO2
Molecular Weight252.07 g/mol
Exact Mass250.96
IUPAC Name3-bromoquinoline-4-carboxylic acid
SMILESO=C(O)c1c(Br)cnc2ccccc12
InChIInChI=1S/C10H6BrNO2/c11-7-5-12-8-4-2-1-3-6(8)9(7)10(13)14/h1-5H,(H,13,14)
InChIKeyPPRTZXNLFVNWGC-UHFFFAOYSA-N
XLogP2.70
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloroquinoline-4-carboxylic acid
CID 22158738
3-bromo-2-chloroquinoline-4-carboxylic acid
CID 97180491
3-bromo-4-fluoroquinoline
CID 130056268
3-(2-methylsulfanylethyl)quinoline-4-carboxylic acid
CID 90749287
3-(3-fluoropropoxy)quinoline-4-carboxylic acid
CID 81106756
4-(2-bromophenyl)sulfanylquinoline-3-carboxylic acid
CID 61340802
3-pentoxyquinoline-4-carboxylic acid
CID 79593988
3-butan-2-yloxyquinoline-4-carboxylic acid
CID 79594936
3-(3,3-dimethylbutoxy)quinoline-4-carboxylic acid
CID 79593820
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
6-oxobenzo[c][1]benzazepine-11-carboxylic acid
CID 154239718
3-methylquinoline-4-carbonyl chloride
CID 119093566

Frequently Asked Questions

What is the IUPAC name of 3-bromoquinoline-4-carboxylic acid?
The IUPAC name of 3-bromoquinoline-4-carboxylic acid (CID 119083564) is 3-bromoquinoline-4-carboxylic acid.
What is the SMILES notation for 3-bromoquinoline-4-carboxylic acid?
The canonical SMILES for 3-bromoquinoline-4-carboxylic acid is O=C(O)c1c(Br)cnc2ccccc12.
What is the InChIKey of 3-bromoquinoline-4-carboxylic acid?
The InChIKey is PPRTZXNLFVNWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO2/c11-7-5-12-8-4-2-1-3-6(8)9(7)10(13)14/h1-5H,(H,13,14).
What are the key properties of 3-bromoquinoline-4-carboxylic acid?
3-bromoquinoline-4-carboxylic acid has a molecular weight of 252.07 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoquinoline-4-carboxylic acid is sourced from PubChem (CID 119083564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).