1,6-naphthyridine-3-carboxylate

C9H5N2O2- — CID 19816512

IUPAC1,6-naphthyridine-3-carboxylate
SMILESO=C([O-])c1cnc2ccncc2c1
InChIInChI=1S/C9H6N2O2/c12-9(13)7-3-6-4-10-2-1-8(6)11-5-7/h1-5H,(H,12,13)/p-1
InChIKeyDTQIBVJDCJZFTK-UHFFFAOYSA-M
MW173.15 g/mol
LogP-0.01
Rot. Bonds1

About 1,6-naphthyridine-3-carboxylate

1,6-naphthyridine-3-carboxylate (PubChem CID 19816512) has the molecular formula C9H5N2O2- and a molecular weight of 173.15 g/mol. Its IUPAC name is 1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name1,6-naphthyridine-3-carboxylate
PubChem CID19816512
Molecular FormulaC9H5N2O2-
Molecular Weight173.15 g/mol
Exact Mass173.04
IUPAC Name1,6-naphthyridine-3-carboxylate
SMILESO=C([O-])c1cnc2ccncc2c1
InChIInChI=1S/C9H6N2O2/c12-9(13)7-3-6-4-10-2-1-8(6)11-5-7/h1-5H,(H,12,13)/p-1
InChIKeyDTQIBVJDCJZFTK-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
1,5-naphthyridine-3-carboxylate
CID 18663322
1,6-naphthyridine-2-carboxylate
CID 6930972
2-(1,6-naphthyridin-3-yl)acetic acid
CID 84770667
1,7-naphthyridine-3-carbohydrazide
CID 69234324
pyrido[4,3-d]pyrimidine;dihydrochloride
CID 57495363
bis(4-[2,6-di(pyrazin-2-yl)-4-pyridinyl]benzoate);bis(oxygen(2-));uranium
CID 139177757
2-pyridin-4-yl-1-quinolin-3-ylethanone
CID 62551225
N'-(3-morpholin-4-ylpropanoyl)-1,6-naphthyridine-3-carbohydrazide
CID 166378567
lithium;pyridine-4-carboxylate;dihydrate
CID 172830071
hydron;N-(1,6-naphthyridin-3-yl)formamide
CID 174959508
neodymium(3+);pyridine-3-carboxylate
CID 23619365

Frequently Asked Questions

What is the IUPAC name of 1,6-naphthyridine-3-carboxylate?
The IUPAC name of 1,6-naphthyridine-3-carboxylate (CID 19816512) is 1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for 1,6-naphthyridine-3-carboxylate?
The canonical SMILES for 1,6-naphthyridine-3-carboxylate is O=C([O-])c1cnc2ccncc2c1.
What is the InChIKey of 1,6-naphthyridine-3-carboxylate?
The InChIKey is DTQIBVJDCJZFTK-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H6N2O2/c12-9(13)7-3-6-4-10-2-1-8(6)11-5-7/h1-5H,(H,12,13)/p-1.
What are the key properties of 1,6-naphthyridine-3-carboxylate?
1,6-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 1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 19816512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).