[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-ylmethanone

C14H11F2NO2 — CID 134621203

IUPAC[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-ylmethanone
SMILESCOc1ccc(C(F)F)c(C(=O)c2cccnc2)c1
InChIInChI=1S/C14H11F2NO2/c1-19-10-4-5-11(14(15)16)12(7-10)13(18)9-3-2-6-17-8-9/h2-8,14H,1H3
InChIKeyYIDRXQVSGVIBBI-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.26
Rot. Bonds4

About [2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-ylmethanone

[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-ylmethanone (PubChem CID 134621203) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is [2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-ylmethanone
PubChem CID134621203
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-ylmethanone
SMILESCOc1ccc(C(F)F)c(C(=O)c2cccnc2)c1
InChIInChI=1S/C14H11F2NO2/c1-19-10-4-5-11(14(15)16)12(7-10)13(18)9-3-2-6-17-8-9/h2-8,14H,1H3
InChIKeyYIDRXQVSGVIBBI-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

[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-2-ylmethanone
CID 118847469
[4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134622134
1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 43321352
(2-methoxyphenyl)-pyridin-3-ylmethanone
CID 18357321
[3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 114963185
[2-amino-5-(trifluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 134621330
[3-(difluoromethyl)-2-nitrophenyl]-pyridin-3-ylmethanone
CID 134621605
(2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone
CID 115000096
(3-methoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707522
[4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 134622086
(E)-3-(6-methoxynaphthalen-2-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854375
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-ylmethanone (CID 134621203) is [2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-ylmethanone is COc1ccc(C(F)F)c(C(=O)c2cccnc2)c1.
What is the InChIKey of [2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-ylmethanone?
The InChIKey is YIDRXQVSGVIBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-19-10-4-5-11(14(15)16)12(7-10)13(18)9-3-2-6-17-8-9/h2-8,14H,1H3.
What are the key properties of [2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-ylmethanone?
[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-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 [2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 134621203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).