6-chloro-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(difluoromethoxy)pyridine

C13H13Cl2F2N3O — CID 153296742

IUPAC6-chloro-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(difluoromethoxy)pyridine
SMILESCCc1nn(CC)c(-c2ccc(Cl)nc2OC(F)F)c1Cl
InChIInChI=1S/C13H13Cl2F2N3O/c1-3-8-10(15)11(20(4-2)19-8)7-5-6-9(14)18-12(7)21-13(16)17/h5-6,13H,3-4H2,1-2H3
InChIKeyYRPBJOQMUYFOHF-UHFFFAOYSA-N
MW336.17 g/mol
LogP4.44
Rot. Bonds5

About 6-chloro-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(difluoromethoxy)pyridine

6-chloro-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(difluoromethoxy)pyridine (PubChem CID 153296742) has the molecular formula C13H13Cl2F2N3O and a molecular weight of 336.17 g/mol. Its IUPAC name is 6-chloro-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(difluoromethoxy)pyridine.

Molecular Properties

Compound Name6-chloro-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(difluoromethoxy)pyridine
PubChem CID153296742
Molecular FormulaC13H13Cl2F2N3O
Molecular Weight336.17 g/mol
Exact Mass335.04
IUPAC Name6-chloro-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(difluoromethoxy)pyridine
SMILESCCc1nn(CC)c(-c2ccc(Cl)nc2OC(F)F)c1Cl
InChIInChI=1S/C13H13Cl2F2N3O/c1-3-8-10(15)11(20(4-2)19-8)7-5-6-9(14)18-12(7)21-13(16)17/h5-6,13H,3-4H2,1-2H3
InChIKeyYRPBJOQMUYFOHF-UHFFFAOYSA-N
XLogP4.44
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 54.44
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

carbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
CID 161297245
4-chloro-5-[2-(difluoromethoxy)-4-[(2S)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1,3-diethylpyrazole
CID 153295881
4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1,3-diethylpyrazole
CID 153295995
4-chloro-5-[2-(difluoromethoxy)-4-(4,4,4-trifluoro-2,2-dimethylbutyl)phenyl]-1,3-diethylpyrazole
CID 153296144
5-(4-bromo-2-ethoxyphenyl)-4-chloro-1,3-diethylpyrazole
CID 153296114
5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine
CID 153296646
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
CID 153296811
3-(4-chloro-1,3-diethylpyrazol-5-yl)-1-hydroxy-4-propan-2-ylpyridin-1-ium
CID 153296616
carbon dioxide;3-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-ylpyridine
CID 158439688
6-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-methoxypyridine
CID 11558853
4-[4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-3-ethylpyrazol-1-yl]butanenitrile
CID 153296255
carbon dioxide;3-(4-chloro-1-ethylpyrazol-5-yl)-2-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridine
CID 160949403

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(difluoromethoxy)pyridine?
The IUPAC name of 6-chloro-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(difluoromethoxy)pyridine (CID 153296742) is 6-chloro-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(difluoromethoxy)pyridine.
What is the SMILES notation for 6-chloro-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(difluoromethoxy)pyridine?
The canonical SMILES for 6-chloro-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(difluoromethoxy)pyridine is CCc1nn(CC)c(-c2ccc(Cl)nc2OC(F)F)c1Cl.
What is the InChIKey of 6-chloro-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(difluoromethoxy)pyridine?
The InChIKey is YRPBJOQMUYFOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2F2N3O/c1-3-8-10(15)11(20(4-2)19-8)7-5-6-9(14)18-12(7)21-13(16)17/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 6-chloro-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(difluoromethoxy)pyridine?
6-chloro-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(difluoromethoxy)pyridine has a molecular weight of 336.17 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(difluoromethoxy)pyridine is sourced from PubChem (CID 153296742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).