[2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone

C14H11F2NO2 — CID 118836241

IUPAC[2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone
SMILESCc1ccc(OC(F)F)c(C(=O)c2ccccn2)c1
InChIInChI=1S/C14H11F2NO2/c1-9-5-6-12(19-14(15)16)10(8-9)13(18)11-4-2-3-7-17-11/h2-8,14H,1H3
InChIKeyKLFOWJNAMSFEKY-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.22
Rot. Bonds4

About [2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone

[2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone (PubChem CID 118836241) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is [2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone
PubChem CID118836241
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name[2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone
SMILESCc1ccc(OC(F)F)c(C(=O)c2ccccn2)c1
InChIInChI=1S/C14H11F2NO2/c1-9-5-6-12(19-14(15)16)10(8-9)13(18)11-4-2-3-7-17-11/h2-8,14H,1H3
InChIKeyKLFOWJNAMSFEKY-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-2-(pyridine-2-carbonyl)phenyl] acetate
CID 102227246
[2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone
CID 118819250
[4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118802816
(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 79022615
[2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone
CID 118836198
[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118825090
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]pyridine-2-carbohydrazide
CID 9332711
[3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118825202
[3-chloro-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118847905
[2-(difluoromethoxy)phenyl]-(5-fluoro-2-methoxyphenyl)methanone
CID 43339634
N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
[2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
CID 16617205

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone?
The IUPAC name of [2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone (CID 118836241) is [2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone?
The canonical SMILES for [2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone is Cc1ccc(OC(F)F)c(C(=O)c2ccccn2)c1.
What is the InChIKey of [2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone?
The InChIKey is KLFOWJNAMSFEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-9-5-6-12(19-14(15)16)10(8-9)13(18)11-4-2-3-7-17-11/h2-8,14H,1H3.
What are the key properties of [2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone?
[2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone has a molecular weight of 263.24 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 118836241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).