2-chloro-7-[1-(2-fluoroethyl)pyrazol-4-yl]-1,5-naphthyridine

C13H10ClFN4 — CID 90288632

IUPAC2-chloro-7-[1-(2-fluoroethyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESFCCn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C13H10ClFN4/c14-13-2-1-11-12(18-13)5-9(6-16-11)10-7-17-19(8-10)4-3-15/h1-2,5-8H,3-4H2
InChIKeyGNIKNOZAXLDMIQ-UHFFFAOYSA-N
MW276.70 g/mol
LogP3.12
Rot. Bonds3

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

2-chloro-7-[1-(2-fluoroethyl)pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90288632) has the molecular formula C13H10ClFN4 and a molecular weight of 276.70 g/mol. Its IUPAC name is 2-chloro-7-[1-(2-fluoroethyl)pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[1-(2-fluoroethyl)pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90288632
Molecular FormulaC13H10ClFN4
Molecular Weight276.70 g/mol
Exact Mass276.06
IUPAC Name2-chloro-7-[1-(2-fluoroethyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESFCCn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C13H10ClFN4/c14-13-2-1-11-12(18-13)5-9(6-16-11)10-7-17-19(8-10)4-3-15/h1-2,5-8H,3-4H2
InChIKeyGNIKNOZAXLDMIQ-UHFFFAOYSA-N
XLogP3.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.12
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-(2-fluoroethyl)pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[1-(2-fluoroethyl)pyrazol-4-yl]-1,5-naphthyridine (CID 90288632) is 2-chloro-7-[1-(2-fluoroethyl)pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[1-(2-fluoroethyl)pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[1-(2-fluoroethyl)pyrazol-4-yl]-1,5-naphthyridine is FCCn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.
What is the InChIKey of 2-chloro-7-[1-(2-fluoroethyl)pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is GNIKNOZAXLDMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4/c14-13-2-1-11-12(18-13)5-9(6-16-11)10-7-17-19(8-10)4-3-15/h1-2,5-8H,3-4H2.
What are the key properties of 2-chloro-7-[1-(2-fluoroethyl)pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[1-(2-fluoroethyl)pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 276.70 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[1-(2-fluoroethyl)pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90288632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).