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

C13H9ClF2N4 — CID 90288882

IUPAC2-chloro-7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESFC(F)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C13H9ClF2N4/c14-12-2-1-10-11(19-12)3-8(4-17-10)9-5-18-20(6-9)7-13(15)16/h1-6,13H,7H2
InChIKeyRKSDSNWFJQOFPY-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.41
Rot. Bonds3

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

2-chloro-7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,5-naphthyridine (PubChem CID 90288882) has the molecular formula C13H9ClF2N4 and a molecular weight of 294.69 g/mol. Its IUPAC name is 2-chloro-7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,5-naphthyridine
PubChem CID90288882
Molecular FormulaC13H9ClF2N4
Molecular Weight294.69 g/mol
Exact Mass294.05
IUPAC Name2-chloro-7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,5-naphthyridine
SMILESFC(F)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1
InChIInChI=1S/C13H9ClF2N4/c14-12-2-1-10-11(19-12)3-8(4-17-10)9-5-18-20(6-9)7-13(15)16/h1-6,13H,7H2
InChIKeyRKSDSNWFJQOFPY-UHFFFAOYSA-N
XLogP3.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.41
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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Related Compounds

N-[2-(5-Chloro-2-Fluorophenyl)pyridin-4-Yl]-2-[(Piperidin-4-Yl)methyl]-2h-Pyrazolo[4,3-B]pyridin-7-Amine
CID 54671256
7-Chloro-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9858407
2-(3-Pyridin-2-yl-1H-pyrazol-4-yl)-1,5-naphthyridine
CID 9925495
2-[4-chlorophenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9945516
4-(1-Benzyl-3-pyridin-2-yl-1H-pyrazol-4-yl)-quinoline
CID 10361281
7-chloro-4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 21992575
7-Chloro-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-quinoline
CID 44346052
N-(2-(5-chloro-2-fluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54670128
N-(2-(5-chloro-2-fluorophenyl)pyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671064
7-Chloro-4-(3,5-dimethyl-1H-pyrazol-1-yl)quinoline
CID 365206
US20240018122, Example 181
CID 170666416
5,8-Dichloropyrido[2,3-d]pyridazine
CID 279915

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,5-naphthyridine (CID 90288882) is 2-chloro-7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,5-naphthyridine is FC(F)Cn1cc(-c2cnc3ccc(Cl)nc3c2)cn1.
What is the InChIKey of 2-chloro-7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,5-naphthyridine?
The InChIKey is RKSDSNWFJQOFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N4/c14-12-2-1-10-11(19-12)3-8(4-17-10)9-5-18-20(6-9)7-13(15)16/h1-6,13H,7H2.
What are the key properties of 2-chloro-7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,5-naphthyridine?
2-chloro-7-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,5-naphthyridine has a molecular weight of 294.69 g/mol, XLogP of 3.41, 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-(2,2-difluoroethyl)pyrazol-4-yl]-1,5-naphthyridine is sourced from PubChem (CID 90288882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).