[5-(difluoromethyl)-2-methoxyphenyl]-pyridin-4-ylmethanone

C14H11F2NO2 — CID 134627644

IUPAC[5-(difluoromethyl)-2-methoxyphenyl]-pyridin-4-ylmethanone
SMILESCOc1ccc(C(F)F)cc1C(=O)c1ccncc1
InChIInChI=1S/C14H11F2NO2/c1-19-12-3-2-10(14(15)16)8-11(12)13(18)9-4-6-17-7-5-9/h2-8,14H,1H3
InChIKeyJCWFPPMAIAEPSI-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.26
Rot. Bonds4

About [5-(difluoromethyl)-2-methoxyphenyl]-pyridin-4-ylmethanone

[5-(difluoromethyl)-2-methoxyphenyl]-pyridin-4-ylmethanone (PubChem CID 134627644) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is [5-(difluoromethyl)-2-methoxyphenyl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[5-(difluoromethyl)-2-methoxyphenyl]-pyridin-4-ylmethanone
PubChem CID134627644
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name[5-(difluoromethyl)-2-methoxyphenyl]-pyridin-4-ylmethanone
SMILESCOc1ccc(C(F)F)cc1C(=O)c1ccncc1
InChIInChI=1S/C14H11F2NO2/c1-19-12-3-2-10(14(15)16)8-11(12)13(18)9-4-6-17-7-5-9/h2-8,14H,1H3
InChIKeyJCWFPPMAIAEPSI-UHFFFAOYSA-N
XLogP3.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone
CID 118829696
[2-amino-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone
CID 134627387
[2-chloro-4-(difluoromethyl)phenyl]-pyridin-4-ylmethanone
CID 134627417
2-bromo-1-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-one
CID 134619123
1-[5-(difluoromethyl)-2-methoxyphenyl]-2-(methylamino)ethanone
CID 117330012
[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803045
1-[5-(1-fluoroethyl)-2-methoxyphenyl]ethanone
CID 84666890
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
4-(difluoromethyl)-2-[5-(difluoromethyl)-2-methoxyphenyl]benzoic acid
CID 177238209
1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one
CID 84680200
2-[4-(difluoromethyl)-2-methoxyphenyl]-2-oxoacetic acid
CID 117331891
(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-2-methoxyphenyl]-pyridin-4-ylmethanone?
The IUPAC name of [5-(difluoromethyl)-2-methoxyphenyl]-pyridin-4-ylmethanone (CID 134627644) is [5-(difluoromethyl)-2-methoxyphenyl]-pyridin-4-ylmethanone.
What is the SMILES notation for [5-(difluoromethyl)-2-methoxyphenyl]-pyridin-4-ylmethanone?
The canonical SMILES for [5-(difluoromethyl)-2-methoxyphenyl]-pyridin-4-ylmethanone is COc1ccc(C(F)F)cc1C(=O)c1ccncc1.
What is the InChIKey of [5-(difluoromethyl)-2-methoxyphenyl]-pyridin-4-ylmethanone?
The InChIKey is JCWFPPMAIAEPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-19-12-3-2-10(14(15)16)8-11(12)13(18)9-4-6-17-7-5-9/h2-8,14H,1H3.
What are the key properties of [5-(difluoromethyl)-2-methoxyphenyl]-pyridin-4-ylmethanone?
[5-(difluoromethyl)-2-methoxyphenyl]-pyridin-4-ylmethanone has a molecular weight of 263.24 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-2-methoxyphenyl]-pyridin-4-ylmethanone is sourced from PubChem (CID 134627644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).