6-bromo-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxylic acid

C15H10BrN3O3 — CID 166831507

IUPAC6-bromo-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cc2cc(Br)cnc2n(Cc2cccnc2)c1=O
InChIInChI=1S/C15H10BrN3O3/c16-11-4-10-5-12(15(21)22)14(20)19(13(10)18-7-11)8-9-2-1-3-17-6-9/h1-7H,8H2,(H,21,22)
InChIKeyLCVXXGMDFCVSQF-UHFFFAOYSA-N
MW360.17 g/mol
LogP2.30
Rot. Bonds3

About 6-bromo-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxylic acid

6-bromo-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 166831507) has the molecular formula C15H10BrN3O3 and a molecular weight of 360.17 g/mol. Its IUPAC name is 6-bromo-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID166831507
Molecular FormulaC15H10BrN3O3
Molecular Weight360.17 g/mol
Exact Mass358.99
IUPAC Name6-bromo-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cc2cc(Br)cnc2n(Cc2cccnc2)c1=O
InChIInChI=1S/C15H10BrN3O3/c16-11-4-10-5-12(15(21)22)14(20)19(13(10)18-7-11)8-9-2-1-3-17-6-9/h1-7H,8H2,(H,21,22)
InChIKeyLCVXXGMDFCVSQF-UHFFFAOYSA-N
XLogP2.30
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 166831391
1-benzyl-2-oxo-N-pyridin-3-yl-1,8-naphthyridine-3-carboxamide
CID 7620300
2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 150776765
6-bromo-2-(1-chloroethyl)-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 79302307
1-benzyl-2-oxoquinoline-3-carboxylic acid
CID 22754333
1-benzyl-N,N-diethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620018
4-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxylic acid
CID 17221226
6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16793223
1-benzyl-2-oxo-N-propyl-1,8-naphthyridine-3-carboxamide
CID 7620085
N-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996288
1-benzyl-N-(2-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620230
1-benzyl-2-oxo-N-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 7620181

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-bromo-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxylic acid (CID 166831507) is 6-bromo-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-bromo-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-bromo-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cc2cc(Br)cnc2n(Cc2cccnc2)c1=O.
What is the InChIKey of 6-bromo-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is LCVXXGMDFCVSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O3/c16-11-4-10-5-12(15(21)22)14(20)19(13(10)18-7-11)8-9-2-1-3-17-6-9/h1-7H,8H2,(H,21,22).
What are the key properties of 6-bromo-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxylic acid?
6-bromo-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 360.17 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 166831507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).