6-bromo-2H-1,8-naphthyridine-1-carboxylic acid

C9H7BrN2O2 — CID 137480722

IUPAC6-bromo-2H-1,8-naphthyridine-1-carboxylic acid
SMILESO=C(O)N1CC=Cc2cc(Br)cnc21
InChIInChI=1S/C9H7BrN2O2/c10-7-4-6-2-1-3-12(9(13)14)8(6)11-5-7/h1-2,4-5H,3H2,(H,13,14)
InChIKeySANHCSGVCBTKNH-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.36
Rot. Bonds

About 6-bromo-2H-1,8-naphthyridine-1-carboxylic acid

6-bromo-2H-1,8-naphthyridine-1-carboxylic acid (PubChem CID 137480722) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 6-bromo-2H-1,8-naphthyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2H-1,8-naphthyridine-1-carboxylic acid
PubChem CID137480722
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name6-bromo-2H-1,8-naphthyridine-1-carboxylic acid
SMILESO=C(O)N1CC=Cc2cc(Br)cnc21
InChIInChI=1S/C9H7BrN2O2/c10-7-4-6-2-1-3-12(9(13)14)8(6)11-5-7/h1-2,4-5H,3H2,(H,13,14)
InChIKeySANHCSGVCBTKNH-UHFFFAOYSA-N
XLogP2.36
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-7,8-dihydroquinoline
CID 147259144
2-(6-bromo-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)acetic acid
CID 68565826
5-bromo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid
CID 114490010
5-bromo-2-(4-methylsulfonylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 63005105
1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692100
[5-bromo-2-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]methanamine
CID 130625562
5-bromo-2-(4-carboxy-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 168691534
5-bromo-3-hydroxypyridine-2-carboxylic acid
CID 46315212
5-bromo-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid
CID 114410182
2-(3-bromo-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl)acetic acid
CID 138620916
1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid
CID 103583920
1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4-carboxylic acid
CID 79718030

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2H-1,8-naphthyridine-1-carboxylic acid?
The IUPAC name of 6-bromo-2H-1,8-naphthyridine-1-carboxylic acid (CID 137480722) is 6-bromo-2H-1,8-naphthyridine-1-carboxylic acid.
What is the SMILES notation for 6-bromo-2H-1,8-naphthyridine-1-carboxylic acid?
The canonical SMILES for 6-bromo-2H-1,8-naphthyridine-1-carboxylic acid is O=C(O)N1CC=Cc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-2H-1,8-naphthyridine-1-carboxylic acid?
The InChIKey is SANHCSGVCBTKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c10-7-4-6-2-1-3-12(9(13)14)8(6)11-5-7/h1-2,4-5H,3H2,(H,13,14).
What are the key properties of 6-bromo-2H-1,8-naphthyridine-1-carboxylic acid?
6-bromo-2H-1,8-naphthyridine-1-carboxylic acid has a molecular weight of 255.07 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2H-1,8-naphthyridine-1-carboxylic acid is sourced from PubChem (CID 137480722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).