6-chloro-2-(trifluoromethyl)-1,5-naphthyridine-3-carboxylic acid

C10H4ClF3N2O2 — CID 87069254

IUPAC6-chloro-2-(trifluoromethyl)-1,5-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cc2nc(Cl)ccc2nc1C(F)(F)F
InChIInChI=1S/C10H4ClF3N2O2/c11-7-2-1-5-6(15-7)3-4(9(17)18)8(16-5)10(12,13)14/h1-3H,(H,17,18)
InChIKeyOKXUVUNBPIGSCX-UHFFFAOYSA-N
MW276.60 g/mol
LogP3.00
Rot. Bonds1

About 6-chloro-2-(trifluoromethyl)-1,5-naphthyridine-3-carboxylic acid

6-chloro-2-(trifluoromethyl)-1,5-naphthyridine-3-carboxylic acid (PubChem CID 87069254) has the molecular formula C10H4ClF3N2O2 and a molecular weight of 276.60 g/mol. Its IUPAC name is 6-chloro-2-(trifluoromethyl)-1,5-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(trifluoromethyl)-1,5-naphthyridine-3-carboxylic acid
PubChem CID87069254
Molecular FormulaC10H4ClF3N2O2
Molecular Weight276.60 g/mol
Exact Mass275.99
IUPAC Name6-chloro-2-(trifluoromethyl)-1,5-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cc2nc(Cl)ccc2nc1C(F)(F)F
InChIInChI=1S/C10H4ClF3N2O2/c11-7-2-1-5-6(15-7)3-4(9(17)18)8(16-5)10(12,13)14/h1-3H,(H,17,18)
InChIKeyOKXUVUNBPIGSCX-UHFFFAOYSA-N
XLogP3.00
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-(trifluoromethyl)quinoxaline-6-carboxylic acid
CID 22341067
2-chloro-6-(trifluoromethyl)quinoline-3-carboxylic acid
CID 86645339
1-methyl-5-(trifluoromethyl)pyrazolo[4,5-b]pyridine-6-carboxylic acid
CID 138007998
6-chloro-2-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 63376513
phenazine-2,3,7,8-tetracarboxylic acid
CID 22152551
3-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]-3,3-difluoropropanoic acid
CID 162738155
2-[2-chloro-4-(trifluoromethyl)anilino]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 87518431
6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid
CID 66601585
7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid
CID 71385990
2-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 62945715
6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 57347102
2,5-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 119013467

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(trifluoromethyl)-1,5-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(trifluoromethyl)-1,5-naphthyridine-3-carboxylic acid (CID 87069254) is 6-chloro-2-(trifluoromethyl)-1,5-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(trifluoromethyl)-1,5-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(trifluoromethyl)-1,5-naphthyridine-3-carboxylic acid is O=C(O)c1cc2nc(Cl)ccc2nc1C(F)(F)F.
What is the InChIKey of 6-chloro-2-(trifluoromethyl)-1,5-naphthyridine-3-carboxylic acid?
The InChIKey is OKXUVUNBPIGSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF3N2O2/c11-7-2-1-5-6(15-7)3-4(9(17)18)8(16-5)10(12,13)14/h1-3H,(H,17,18).
What are the key properties of 6-chloro-2-(trifluoromethyl)-1,5-naphthyridine-3-carboxylic acid?
6-chloro-2-(trifluoromethyl)-1,5-naphthyridine-3-carboxylic acid has a molecular weight of 276.60 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(trifluoromethyl)-1,5-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 87069254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).