1,5-naphthyridine-3-carboxylate

C9H5N2O2- — CID 18663322

IUPAC1,5-naphthyridine-3-carboxylate
SMILESO=C([O-])c1cnc2cccnc2c1
InChIInChI=1S/C9H6N2O2/c12-9(13)6-4-8-7(11-5-6)2-1-3-10-8/h1-5H,(H,12,13)/p-1
InChIKeyBWIFRKKQXKCKQQ-UHFFFAOYSA-M
MW173.15 g/mol
LogP-0.01
Rot. Bonds1

About 1,5-naphthyridine-3-carboxylate

1,5-naphthyridine-3-carboxylate (PubChem CID 18663322) has the molecular formula C9H5N2O2- and a molecular weight of 173.15 g/mol. Its IUPAC name is 1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name1,5-naphthyridine-3-carboxylate
PubChem CID18663322
Molecular FormulaC9H5N2O2-
Molecular Weight173.15 g/mol
Exact Mass173.04
IUPAC Name1,5-naphthyridine-3-carboxylate
SMILESO=C([O-])c1cnc2cccnc2c1
InChIInChI=1S/C9H6N2O2/c12-9(13)6-4-8-7(11-5-6)2-1-3-10-8/h1-5H,(H,12,13)/p-1
InChIKeyBWIFRKKQXKCKQQ-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

quinoline-3-carboxylate
CID 4608508
potassium quinoxaline-6-carboxylate
CID 23662165
N-(2-hydroxyethyl)-1,5-naphthyridine-3-carboxamide
CID 91250123
1,6-naphthyridine-3-carboxylate
CID 19816512
iridium(3+);1,5-naphthyridine
CID 175728214
1,5-naphthyridine-3-carbaldehyde;hydrochloride
CID 174817233
bis(pyridine-3-carboxylate);ruthenium(2+)
CID 87535471
quinoxaline-6-carboxylic acid chloride
CID 86626600
neodymium(3+);pyridine-3-carboxylate
CID 23619365
N-methyl-1,5-naphthyridin-3-amine
CID 88977984
6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride
CID 154729977
formaldehyde;bis(1,5-naphthyridine);phosphoric acid
CID 175591589

Frequently Asked Questions

What is the IUPAC name of 1,5-naphthyridine-3-carboxylate?
The IUPAC name of 1,5-naphthyridine-3-carboxylate (CID 18663322) is 1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for 1,5-naphthyridine-3-carboxylate?
The canonical SMILES for 1,5-naphthyridine-3-carboxylate is O=C([O-])c1cnc2cccnc2c1.
What is the InChIKey of 1,5-naphthyridine-3-carboxylate?
The InChIKey is BWIFRKKQXKCKQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H6N2O2/c12-9(13)6-4-8-7(11-5-6)2-1-3-10-8/h1-5H,(H,12,13)/p-1.
What are the key properties of 1,5-naphthyridine-3-carboxylate?
1,5-naphthyridine-3-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 1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 18663322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).