4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]pyridine

C13H10F3N — CID 175818404

IUPAC4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]pyridine
SMILESFc1cc(Cc2ccncc2)cc(C(F)F)c1
InChIInChI=1S/C13H10F3N/c14-12-7-10(6-11(8-12)13(15)16)5-9-1-3-17-4-2-9/h1-4,6-8,13H,5H2
InChIKeyKUGKNDPZCQKREC-UHFFFAOYSA-N
MW237.22 g/mol
LogP3.75
Rot. Bonds3

About 4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]pyridine

4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]pyridine (PubChem CID 175818404) has the molecular formula C13H10F3N and a molecular weight of 237.22 g/mol. Its IUPAC name is 4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]pyridine.

Molecular Properties

Compound Name4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]pyridine
PubChem CID175818404
Molecular FormulaC13H10F3N
Molecular Weight237.22 g/mol
Exact Mass237.08
IUPAC Name4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]pyridine
SMILESFc1cc(Cc2ccncc2)cc(C(F)F)c1
InChIInChI=1S/C13H10F3N/c14-12-7-10(6-11(8-12)13(15)16)5-9-1-3-17-4-2-9/h1-4,6-8,13H,5H2
InChIKeyKUGKNDPZCQKREC-UHFFFAOYSA-N
XLogP3.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2Z)-N-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-2-hydrazinylidenecyclohexan-1-imine
CID 162739865
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 172828570
(2E)-2-[[[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]amino]methylidene]-3-(methylamino)butanal
CID 156852831
1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-N-methylpyrazole-3-carboxamide
CID 156852836
1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene
CID 54036374
4-[3,5-bis(pyridin-4-ylmethyl)phenyl]pyridine
CID 100997111
ethyl 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-3-methylpyrazole-4-carboxylate
CID 156852713
1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanol
CID 62551931
N'-[(3,5-difluorophenyl)methyl]-N,N-dimethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 16676739
1-(4-fluorophenyl)-2-pyridin-4-ylethanol
CID 62553094
[2-amino-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone
CID 134627387

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]pyridine?
The IUPAC name of 4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]pyridine (CID 175818404) is 4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]pyridine.
What is the SMILES notation for 4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]pyridine?
The canonical SMILES for 4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]pyridine is Fc1cc(Cc2ccncc2)cc(C(F)F)c1.
What is the InChIKey of 4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]pyridine?
The InChIKey is KUGKNDPZCQKREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N/c14-12-7-10(6-11(8-12)13(15)16)5-9-1-3-17-4-2-9/h1-4,6-8,13H,5H2.
What are the key properties of 4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]pyridine?
4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]pyridine has a molecular weight of 237.22 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]pyridine is sourced from PubChem (CID 175818404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).