2-amino-3-bromoquinoline-6-carboxylic acid

C10H7BrN2O2 — CID 156830315

IUPAC2-amino-3-bromoquinoline-6-carboxylic acid
SMILESNc1nc2ccc(C(=O)O)cc2cc1Br
InChIInChI=1S/C10H7BrN2O2/c11-7-4-6-3-5(10(14)15)1-2-8(6)13-9(7)12/h1-4H,(H2,12,13)(H,14,15)
InChIKeyPOSKMFNNRZVGLM-UHFFFAOYSA-N
MW267.08 g/mol
LogP2.28
Rot. Bonds1

About 2-amino-3-bromoquinoline-6-carboxylic acid

2-amino-3-bromoquinoline-6-carboxylic acid (PubChem CID 156830315) has the molecular formula C10H7BrN2O2 and a molecular weight of 267.08 g/mol. Its IUPAC name is 2-amino-3-bromoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-3-bromoquinoline-6-carboxylic acid
PubChem CID156830315
Molecular FormulaC10H7BrN2O2
Molecular Weight267.08 g/mol
Exact Mass265.97
IUPAC Name2-amino-3-bromoquinoline-6-carboxylic acid
SMILESNc1nc2ccc(C(=O)O)cc2cc1Br
InChIInChI=1S/C10H7BrN2O2/c11-7-4-6-3-5(10(14)15)1-2-8(6)13-9(7)12/h1-4H,(H2,12,13)(H,14,15)
InChIKeyPOSKMFNNRZVGLM-UHFFFAOYSA-N
XLogP2.28
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-cyclopropylquinoline-6-carboxylic acid
CID 171618620
acridino[5,6-b]quinoline-3,10-dicarboxylic acid
CID 91152992
4-amino-1-bromoimidazo[1,5-a]quinoxaline-8-carboxylic acid
CID 171487754
benzene-1,4-diamine;naphthalene-2,6-dicarboxylic acid
CID 175159598
2-bromo-5-carboxyphenolate
CID 54741926
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
2-amino-3-bromo-N-[(6-bromopyridazin-3-yl)methyl]-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]quinoline-6-carboxamide
CID 156830689
3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),5,7,10,12,14(19),15,17,20,22,24(29),25,27-pentadecaene-6,16,26-tricarboxylic acid;hexakis(yttrium)
CID 91866629
2-quinolin-2-ylquinoline-6-carboxylic acid
CID 177243847
5,6-diaminonaphthalene-2-carboxylic acid
CID 23293419

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-bromoquinoline-6-carboxylic acid?
The IUPAC name of 2-amino-3-bromoquinoline-6-carboxylic acid (CID 156830315) is 2-amino-3-bromoquinoline-6-carboxylic acid.
What is the SMILES notation for 2-amino-3-bromoquinoline-6-carboxylic acid?
The canonical SMILES for 2-amino-3-bromoquinoline-6-carboxylic acid is Nc1nc2ccc(C(=O)O)cc2cc1Br.
What is the InChIKey of 2-amino-3-bromoquinoline-6-carboxylic acid?
The InChIKey is POSKMFNNRZVGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O2/c11-7-4-6-3-5(10(14)15)1-2-8(6)13-9(7)12/h1-4H,(H2,12,13)(H,14,15).
What are the key properties of 2-amino-3-bromoquinoline-6-carboxylic acid?
2-amino-3-bromoquinoline-6-carboxylic acid has a molecular weight of 267.08 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-bromoquinoline-6-carboxylic acid is sourced from PubChem (CID 156830315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).