2-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-5-(pyrazol-1-ylmethyl)pyridine

C17H14ClF2N3O — CID 175294424

IUPAC2-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-5-(pyrazol-1-ylmethyl)pyridine
SMILESCc1cc(Cn2cccn2)cnc1-c1ccc(Cl)c(OC(F)F)c1
InChIInChI=1S/C17H14ClF2N3O/c1-11-7-12(10-23-6-2-5-22-23)9-21-16(11)13-3-4-14(18)15(8-13)24-17(19)20/h2-9,17H,10H2,1H3
InChIKeyNBHJXRIIDVIPEM-UHFFFAOYSA-N
MW349.77 g/mol
LogP4.56
Rot. Bonds5

About 2-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-5-(pyrazol-1-ylmethyl)pyridine

2-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-5-(pyrazol-1-ylmethyl)pyridine (PubChem CID 175294424) has the molecular formula C17H14ClF2N3O and a molecular weight of 349.77 g/mol. Its IUPAC name is 2-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-5-(pyrazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name2-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-5-(pyrazol-1-ylmethyl)pyridine
PubChem CID175294424
Molecular FormulaC17H14ClF2N3O
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name2-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-5-(pyrazol-1-ylmethyl)pyridine
SMILESCc1cc(Cn2cccn2)cnc1-c1ccc(Cl)c(OC(F)F)c1
InChIInChI=1S/C17H14ClF2N3O/c1-11-7-12(10-23-6-2-5-22-23)9-21-16(11)13-3-4-14(18)15(8-13)24-17(19)20/h2-9,17H,10H2,1H3
InChIKeyNBHJXRIIDVIPEM-UHFFFAOYSA-N
XLogP4.56
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine
CID 175294474
2-(3-chloro-4-fluorophenyl)-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine
CID 175294520
3-fluoro-2-(4-fluoro-3-methylphenyl)-5-(pyrazol-1-ylmethyl)pyridine
CID 175294448
1-[[4-(difluoromethoxy)phenyl]methyl]pyrazole
CID 174835296
1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole
CID 167799715
4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrazole
CID 118864201
4-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-3,5-dimethyl-1H-pyrazole
CID 118864226
4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine
CID 46317964
2-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810700
1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene
CID 118822247
6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine
CID 175730688
3-[[6-[4-chloro-3-(difluoromethoxy)phenyl]-3-methylpyrazin-2-yl]methyl]-1,3-oxazinan-2-one
CID 155386786

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-5-(pyrazol-1-ylmethyl)pyridine?
The IUPAC name of 2-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-5-(pyrazol-1-ylmethyl)pyridine (CID 175294424) is 2-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-5-(pyrazol-1-ylmethyl)pyridine.
What is the SMILES notation for 2-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-5-(pyrazol-1-ylmethyl)pyridine?
The canonical SMILES for 2-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-5-(pyrazol-1-ylmethyl)pyridine is Cc1cc(Cn2cccn2)cnc1-c1ccc(Cl)c(OC(F)F)c1.
What is the InChIKey of 2-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-5-(pyrazol-1-ylmethyl)pyridine?
The InChIKey is NBHJXRIIDVIPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3O/c1-11-7-12(10-23-6-2-5-22-23)9-21-16(11)13-3-4-14(18)15(8-13)24-17(19)20/h2-9,17H,10H2,1H3.
What are the key properties of 2-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-5-(pyrazol-1-ylmethyl)pyridine?
2-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-5-(pyrazol-1-ylmethyl)pyridine has a molecular weight of 349.77 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-5-(pyrazol-1-ylmethyl)pyridine is sourced from PubChem (CID 175294424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).