2-chloro-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine

C13H8ClF3N4 — CID 90288847

IUPAC2-chloro-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESCn1cc(-c2cnc3ccc(Cl)nc3c2)c(C(F)(F)F)n1
InChIInChI=1S/C13H8ClF3N4/c1-21-6-8(12(20-21)13(15,16)17)7-4-10-9(18-5-7)2-3-11(14)19-10/h2-6H,1H3
InChIKeyRCVNPQJOOOASCK-UHFFFAOYSA-N
MW312.68 g/mol
LogP3.70
Rot. Bonds1

About 2-chloro-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine

2-chloro-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90288847) has the molecular formula C13H8ClF3N4 and a molecular weight of 312.68 g/mol. Its IUPAC name is 2-chloro-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90288847
Molecular FormulaC13H8ClF3N4
Molecular Weight312.68 g/mol
Exact Mass312.04
IUPAC Name2-chloro-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESCn1cc(-c2cnc3ccc(Cl)nc3c2)c(C(F)(F)F)n1
InChIInChI=1S/C13H8ClF3N4/c1-21-6-8(12(20-21)13(15,16)17)7-4-10-9(18-5-7)2-3-11(14)19-10/h2-6H,1H3
InChIKeyRCVNPQJOOOASCK-UHFFFAOYSA-N
XLogP3.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine (CID 90288847) is 2-chloro-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine is Cn1cc(-c2cnc3ccc(Cl)nc3c2)c(C(F)(F)F)n1.
What is the InChIKey of 2-chloro-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is RCVNPQJOOOASCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N4/c1-21-6-8(12(20-21)13(15,16)17)7-4-10-9(18-5-7)2-3-11(14)19-10/h2-6H,1H3.
What are the key properties of 2-chloro-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 312.68 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90288847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).