4-chloro-6-cyano-1,5-naphthyridine-3-carboxylic acid

C10H4ClN3O2 — CID 57418815

IUPAC4-chloro-6-cyano-1,5-naphthyridine-3-carboxylic acid
SMILESN#Cc1ccc2ncc(C(=O)O)c(Cl)c2n1
InChIInChI=1S/C10H4ClN3O2/c11-8-6(10(15)16)4-13-7-2-1-5(3-12)14-9(7)8/h1-2,4H,(H,15,16)
InChIKeyWGUVLMBETLGLMV-UHFFFAOYSA-N
MW233.61 g/mol
LogP1.85
Rot. Bonds1

About 4-chloro-6-cyano-1,5-naphthyridine-3-carboxylic acid

4-chloro-6-cyano-1,5-naphthyridine-3-carboxylic acid (PubChem CID 57418815) has the molecular formula C10H4ClN3O2 and a molecular weight of 233.61 g/mol. Its IUPAC name is 4-chloro-6-cyano-1,5-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-cyano-1,5-naphthyridine-3-carboxylic acid
PubChem CID57418815
Molecular FormulaC10H4ClN3O2
Molecular Weight233.61 g/mol
Exact Mass233.00
IUPAC Name4-chloro-6-cyano-1,5-naphthyridine-3-carboxylic acid
SMILESN#Cc1ccc2ncc(C(=O)O)c(Cl)c2n1
InChIInChI=1S/C10H4ClN3O2/c11-8-6(10(15)16)4-13-7-2-1-5(3-12)14-9(7)8/h1-2,4H,(H,15,16)
InChIKeyWGUVLMBETLGLMV-UHFFFAOYSA-N
XLogP1.85
TPSA86.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.61
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyano-1,5-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-chloro-6-cyano-1,5-naphthyridine-3-carboxylic acid (CID 57418815) is 4-chloro-6-cyano-1,5-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-chloro-6-cyano-1,5-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-chloro-6-cyano-1,5-naphthyridine-3-carboxylic acid is N#Cc1ccc2ncc(C(=O)O)c(Cl)c2n1.
What is the InChIKey of 4-chloro-6-cyano-1,5-naphthyridine-3-carboxylic acid?
The InChIKey is WGUVLMBETLGLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClN3O2/c11-8-6(10(15)16)4-13-7-2-1-5(3-12)14-9(7)8/h1-2,4H,(H,15,16).
What are the key properties of 4-chloro-6-cyano-1,5-naphthyridine-3-carboxylic acid?
4-chloro-6-cyano-1,5-naphthyridine-3-carboxylic acid has a molecular weight of 233.61 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyano-1,5-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 57418815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).