3-fluoro-2-(4-fluoro-3-methylphenyl)-5-(pyrazol-1-ylmethyl)pyridine

C16H13F2N3 — CID 175294448

IUPAC3-fluoro-2-(4-fluoro-3-methylphenyl)-5-(pyrazol-1-ylmethyl)pyridine
SMILESCc1cc(-c2ncc(Cn3cccn3)cc2F)ccc1F
InChIInChI=1S/C16H13F2N3/c1-11-7-13(3-4-14(11)17)16-15(18)8-12(9-19-16)10-21-6-2-5-20-21/h2-9H,10H2,1H3
InChIKeyXLMGKXBWMQUSHA-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.58
Rot. Bonds3

About 3-fluoro-2-(4-fluoro-3-methylphenyl)-5-(pyrazol-1-ylmethyl)pyridine

3-fluoro-2-(4-fluoro-3-methylphenyl)-5-(pyrazol-1-ylmethyl)pyridine (PubChem CID 175294448) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-fluoro-2-(4-fluoro-3-methylphenyl)-5-(pyrazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name3-fluoro-2-(4-fluoro-3-methylphenyl)-5-(pyrazol-1-ylmethyl)pyridine
PubChem CID175294448
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-fluoro-2-(4-fluoro-3-methylphenyl)-5-(pyrazol-1-ylmethyl)pyridine
SMILESCc1cc(-c2ncc(Cn3cccn3)cc2F)ccc1F
InChIInChI=1S/C16H13F2N3/c1-11-7-13(3-4-14(11)17)16-15(18)8-12(9-19-16)10-21-6-2-5-20-21/h2-9H,10H2,1H3
InChIKeyXLMGKXBWMQUSHA-UHFFFAOYSA-N
XLogP3.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenyl)-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine
CID 175294520
2-[4-chloro-3-(difluoromethoxy)phenyl]-3-fluoro-5-(pyrazol-1-ylmethyl)pyridine
CID 175294474
2-[4-chloro-3-(difluoromethoxy)phenyl]-3-methyl-5-(pyrazol-1-ylmethyl)pyridine
CID 175294424
6-(4-fluoro-3-methylphenyl)-2-methyl-3-(pyrazol-1-ylmethyl)pyridine
CID 175294542
5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine
CID 141098456
1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734
5-(4-fluoro-3-methylphenyl)-1-methyl-2-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride
CID 23445064
1-[(2,6-dimethylphenyl)methyl]pyrazole
CID 79032553
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111853679
2-[8-fluoro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 82529762
4-methyl-11-phenyl-12-[4-(pyrazol-1-ylmethyl)phenyl]-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
CID 66629415
N-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630593

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-fluoro-3-methylphenyl)-5-(pyrazol-1-ylmethyl)pyridine?
The IUPAC name of 3-fluoro-2-(4-fluoro-3-methylphenyl)-5-(pyrazol-1-ylmethyl)pyridine (CID 175294448) is 3-fluoro-2-(4-fluoro-3-methylphenyl)-5-(pyrazol-1-ylmethyl)pyridine.
What is the SMILES notation for 3-fluoro-2-(4-fluoro-3-methylphenyl)-5-(pyrazol-1-ylmethyl)pyridine?
The canonical SMILES for 3-fluoro-2-(4-fluoro-3-methylphenyl)-5-(pyrazol-1-ylmethyl)pyridine is Cc1cc(-c2ncc(Cn3cccn3)cc2F)ccc1F.
What is the InChIKey of 3-fluoro-2-(4-fluoro-3-methylphenyl)-5-(pyrazol-1-ylmethyl)pyridine?
The InChIKey is XLMGKXBWMQUSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c1-11-7-13(3-4-14(11)17)16-15(18)8-12(9-19-16)10-21-6-2-5-20-21/h2-9H,10H2,1H3.
What are the key properties of 3-fluoro-2-(4-fluoro-3-methylphenyl)-5-(pyrazol-1-ylmethyl)pyridine?
3-fluoro-2-(4-fluoro-3-methylphenyl)-5-(pyrazol-1-ylmethyl)pyridine has a molecular weight of 285.30 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-fluoro-3-methylphenyl)-5-(pyrazol-1-ylmethyl)pyridine is sourced from PubChem (CID 175294448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).