2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine

C15H16ClF2N3O2 — CID 121249435

IUPAC2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine
SMILESFC(F)Cn1cc(Oc2ccnc(Cl)c2)c(C2CCOCC2)n1
InChIInChI=1S/C15H16ClF2N3O2/c16-13-7-11(1-4-19-13)23-12-8-21(9-14(17)18)20-15(12)10-2-5-22-6-3-10/h1,4,7-8,10,14H,2-3,5-6,9H2
InChIKeyKHGMCLQHYQKLJC-UHFFFAOYSA-N
MW343.76 g/mol
LogP3.88
Rot. Bonds5

About 2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine

2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine (PubChem CID 121249435) has the molecular formula C15H16ClF2N3O2 and a molecular weight of 343.76 g/mol. Its IUPAC name is 2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine.

Molecular Properties

Compound Name2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine
PubChem CID121249435
Molecular FormulaC15H16ClF2N3O2
Molecular Weight343.76 g/mol
Exact Mass343.09
IUPAC Name2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine
SMILESFC(F)Cn1cc(Oc2ccnc(Cl)c2)c(C2CCOCC2)n1
InChIInChI=1S/C15H16ClF2N3O2/c16-13-7-11(1-4-19-13)23-12-8-21(9-14(17)18)20-15(12)10-2-5-22-6-3-10/h1,4,7-8,10,14H,2-3,5-6,9H2
InChIKeyKHGMCLQHYQKLJC-UHFFFAOYSA-N
XLogP3.88
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-yl]oxypyridine
CID 121249468
5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine
CID 154963843
2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine
CID 150825451
2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine
CID 164715787
2-[4-[[4-[3-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 150140025
1-[4-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]-4,4-difluorocyclohexan-1-ol
CID 149066952
2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine
CID 147277185
5-bromo-3-(2,2-difluoroethyl)-6-(oxan-4-yl)pyrimidin-4-one
CID 165478923
4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-1H-pyrrolo[2,3-b]pyridine
CID 162512313
2-[5-[[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-fluorophenyl]azetidine-3-carbonitrile
CID 175483482
N-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-2-pyridinyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-4-amine
CID 151726288
4-[4-[[4-[1-cyclopropyl-3-(4,4-difluorocyclohexyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]oxan-4-ol
CID 151675006

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine?
The IUPAC name of 2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine (CID 121249435) is 2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine.
What is the SMILES notation for 2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine?
The canonical SMILES for 2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine is FC(F)Cn1cc(Oc2ccnc(Cl)c2)c(C2CCOCC2)n1.
What is the InChIKey of 2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine?
The InChIKey is KHGMCLQHYQKLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3O2/c16-13-7-11(1-4-19-13)23-12-8-21(9-14(17)18)20-15(12)10-2-5-22-6-3-10/h1,4,7-8,10,14H,2-3,5-6,9H2.
What are the key properties of 2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine?
2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine has a molecular weight of 343.76 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine is sourced from PubChem (CID 121249435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).