3-bromo-7-chloro-1,6-naphthyridine-2-carboxylic acid

C9H4BrClN2O2 — CID 171555659

IUPAC3-bromo-7-chloro-1,6-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1nc2cc(Cl)ncc2cc1Br
InChIInChI=1S/C9H4BrClN2O2/c10-5-1-4-3-12-7(11)2-6(4)13-8(5)9(14)15/h1-3H,(H,14,15)
InChIKeyFDJFKNYGTXJVCW-UHFFFAOYSA-N
MW287.50 g/mol
LogP2.74
Rot. Bonds1

About 3-bromo-7-chloro-1,6-naphthyridine-2-carboxylic acid

3-bromo-7-chloro-1,6-naphthyridine-2-carboxylic acid (PubChem CID 171555659) has the molecular formula C9H4BrClN2O2 and a molecular weight of 287.50 g/mol. Its IUPAC name is 3-bromo-7-chloro-1,6-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-bromo-7-chloro-1,6-naphthyridine-2-carboxylic acid
PubChem CID171555659
Molecular FormulaC9H4BrClN2O2
Molecular Weight287.50 g/mol
Exact Mass285.91
IUPAC Name3-bromo-7-chloro-1,6-naphthyridine-2-carboxylic acid
SMILESO=C(O)c1nc2cc(Cl)ncc2cc1Br
InChIInChI=1S/C9H4BrClN2O2/c10-5-1-4-3-12-7(11)2-6(4)13-8(5)9(14)15/h1-3H,(H,14,15)
InChIKeyFDJFKNYGTXJVCW-UHFFFAOYSA-N
XLogP2.74
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,6-dibromo-1,8-naphthyridine-2-carboxylic acid
CID 127256117
2-bromo-7-chloro-1,6-naphthyridine
CID 138754733
5-bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloropyridine
CID 46220750
CID 170968311
CID 170968311
5-bromo-6-chloropyridine-3-carboxylic acid;hydrazine
CID 174723335
2-(2,5-dichloro-4-pyridinyl)pyrimidine-5-carboxylic acid
CID 71742726
5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid
CID 106512241
7-bromo-3-chloro-5-nitroisoquinolin-6-ol
CID 170968104
7-bromo-2,6-dichloroquinazoline
CID 131750244
3-amino-5-chloropyrazine-2-carboxylic acid
CID 53418769
5-bromopyrimidine-4-carboxylic acid
CID 21329200
5-bromo-2-(1,3-thiazol-4-yl)pyrimidine-4-carboxylic acid
CID 106512146

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-1,6-naphthyridine-2-carboxylic acid?
The IUPAC name of 3-bromo-7-chloro-1,6-naphthyridine-2-carboxylic acid (CID 171555659) is 3-bromo-7-chloro-1,6-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 3-bromo-7-chloro-1,6-naphthyridine-2-carboxylic acid?
The canonical SMILES for 3-bromo-7-chloro-1,6-naphthyridine-2-carboxylic acid is O=C(O)c1nc2cc(Cl)ncc2cc1Br.
What is the InChIKey of 3-bromo-7-chloro-1,6-naphthyridine-2-carboxylic acid?
The InChIKey is FDJFKNYGTXJVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClN2O2/c10-5-1-4-3-12-7(11)2-6(4)13-8(5)9(14)15/h1-3H,(H,14,15).
What are the key properties of 3-bromo-7-chloro-1,6-naphthyridine-2-carboxylic acid?
3-bromo-7-chloro-1,6-naphthyridine-2-carboxylic acid has a molecular weight of 287.50 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloro-1,6-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 171555659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).