1,6-naphthyridine-2-carboxylate

C9H5N2O2- — CID 6930972

IUPAC1,6-naphthyridine-2-carboxylate
SMILESO=C([O-])c1ccc2cnccc2n1
InChIInChI=1S/C9H6N2O2/c12-9(13)8-2-1-6-5-10-4-3-7(6)11-8/h1-5H,(H,12,13)/p-1
InChIKeyOZZMWXQJCJUCEJ-UHFFFAOYSA-M
MW173.15 g/mol
LogP-0.01
Rot. Bonds1

About 1,6-naphthyridine-2-carboxylate

1,6-naphthyridine-2-carboxylate (PubChem CID 6930972) has the molecular formula C9H5N2O2- and a molecular weight of 173.15 g/mol. Its IUPAC name is 1,6-naphthyridine-2-carboxylate.

Molecular Properties

Compound Name1,6-naphthyridine-2-carboxylate
PubChem CID6930972
Molecular FormulaC9H5N2O2-
Molecular Weight173.15 g/mol
Exact Mass173.04
IUPAC Name1,6-naphthyridine-2-carboxylate
SMILESO=C([O-])c1ccc2cnccc2n1
InChIInChI=1S/C9H6N2O2/c12-9(13)8-2-1-6-5-10-4-3-7(6)11-8/h1-5H,(H,12,13)/p-1
InChIKeyOZZMWXQJCJUCEJ-UHFFFAOYSA-M
XLogP-0.01
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,6-naphthyridine-2-carboxylic acid;hydrochloride
CID 170943375
tert-butyl 1,6-naphthyridine-2-carboxylate
CID 156739271
copper(1+);quinoline-2-carboxylate
CID 159046158
iridium(3+);tris(quinoline-2-carboxylate)
CID 161052613
tris(quinoline-2-carboxylate);ruthenium(3+)
CID 15777317
chromium(3+);tris(quinoline-2-carboxylate)
CID 86616048
1,6-naphthyridine-3-carboxylate
CID 19816512
N-(4-chloro-2-methylphenyl)-1,6-naphthyridine-2-carboxamide
CID 91064631
N-[(1R)-1-phenylpropyl]-1,6-naphthyridine-2-carboxamide
CID 16731063
N-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 167873021
tricopper;bis(pyridine-2,3-dicarboxylate);bis(quinoline-2-carboxylate)
CID 70528464
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,6-naphthyridine-2-carboxamide
CID 73314123

Frequently Asked Questions

What is the IUPAC name of 1,6-naphthyridine-2-carboxylate?
The IUPAC name of 1,6-naphthyridine-2-carboxylate (CID 6930972) is 1,6-naphthyridine-2-carboxylate.
What is the SMILES notation for 1,6-naphthyridine-2-carboxylate?
The canonical SMILES for 1,6-naphthyridine-2-carboxylate is O=C([O-])c1ccc2cnccc2n1.
What is the InChIKey of 1,6-naphthyridine-2-carboxylate?
The InChIKey is OZZMWXQJCJUCEJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H6N2O2/c12-9(13)8-2-1-6-5-10-4-3-7(6)11-8/h1-5H,(H,12,13)/p-1.
What are the key properties of 1,6-naphthyridine-2-carboxylate?
1,6-naphthyridine-2-carboxylate has a molecular weight of 173.15 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-naphthyridine-2-carboxylate is sourced from PubChem (CID 6930972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).