2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine

C13H10ClFN4 — CID 90289071

IUPAC2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine
SMILESCn1cc(-c2cnc3ccc(Cl)nc3c2)c(CF)n1
InChIInChI=1S/C13H10ClFN4/c1-19-7-9(12(5-15)18-19)8-4-11-10(16-6-8)2-3-13(14)17-11/h2-4,6-7H,5H2,1H3
InChIKeyLVKBDHROKUKDLZ-UHFFFAOYSA-N
MW276.70 g/mol
LogP3.15
Rot. Bonds2

About 2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine

2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90289071) has the molecular formula C13H10ClFN4 and a molecular weight of 276.70 g/mol. Its IUPAC name is 2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine
PubChem CID90289071
Molecular FormulaC13H10ClFN4
Molecular Weight276.70 g/mol
Exact Mass276.06
IUPAC Name2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine
SMILESCn1cc(-c2cnc3ccc(Cl)nc3c2)c(CF)n1
InChIInChI=1S/C13H10ClFN4/c1-19-7-9(12(5-15)18-19)8-4-11-10(16-6-8)2-3-13(14)17-11/h2-4,6-7H,5H2,1H3
InChIKeyLVKBDHROKUKDLZ-UHFFFAOYSA-N
XLogP3.15
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.15
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-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine (CID 90289071) is 2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine is Cn1cc(-c2cnc3ccc(Cl)nc3c2)c(CF)n1.
What is the InChIKey of 2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is LVKBDHROKUKDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4/c1-19-7-9(12(5-15)18-19)8-4-11-10(16-6-8)2-3-13(14)17-11/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 276.70 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[3-(fluoromethyl)-1-methylpyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90289071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).