4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine

C9H8F5NO — CID 118801264

IUPAC4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine
SMILESCOc1c(C(F)(F)F)ncc(C)c1C(F)F
InChIInChI=1S/C9H8F5NO/c1-4-3-15-7(9(12,13)14)6(16-2)5(4)8(10)11/h3,8H,1-2H3
InChIKeySPHDIHJNCIFRHQ-UHFFFAOYSA-N
MW241.16 g/mol
LogP3.36
Rot. Bonds2

About 4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine

4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine (PubChem CID 118801264) has the molecular formula C9H8F5NO and a molecular weight of 241.16 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine
PubChem CID118801264
Molecular FormulaC9H8F5NO
Molecular Weight241.16 g/mol
Exact Mass241.05
IUPAC Name4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine
SMILESCOc1c(C(F)(F)F)ncc(C)c1C(F)F
InChIInChI=1S/C9H8F5NO/c1-4-3-15-7(9(12,13)14)6(16-2)5(4)8(10)11/h3,8H,1-2H3
InChIKeySPHDIHJNCIFRHQ-UHFFFAOYSA-N
XLogP3.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethyl)-5-methyl-2-(trifluoromethyl)pyridin-4-amine
CID 118806773
[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088384
ethane;5-methoxy-4-methyl-6-(trifluoromethyl)pyridin-3-amine
CID 156715262
4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine
CID 118852057
[5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 133084912
2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118801473
[4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118824102
5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134685708
3-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-2-amine
CID 119010486
4-(difluoromethyl)-2-methoxy-3-methyl-5-(trifluoromethyl)pyridine
CID 118835037
2-(difluoromethyl)-4-methoxy-5-methyl-3-(trifluoromethoxy)pyridine
CID 134670213
3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine
CID 130073666

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine (CID 118801264) is 4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine is COc1c(C(F)(F)F)ncc(C)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine?
The InChIKey is SPHDIHJNCIFRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO/c1-4-3-15-7(9(12,13)14)6(16-2)5(4)8(10)11/h3,8H,1-2H3.
What are the key properties of 4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine?
4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine has a molecular weight of 241.16 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-methoxy-5-methyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 118801264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).