3-(difluoromethyl)-4-methoxy-2-methylpyridine

C8H9F2NO — CID 130097309

IUPAC3-(difluoromethyl)-4-methoxy-2-methylpyridine
SMILESCOc1ccnc(C)c1C(F)F
InChIInChI=1S/C8H9F2NO/c1-5-7(8(9)10)6(12-2)3-4-11-5/h3-4,8H,1-2H3
InChIKeyBTSJWWWKKHNJMW-UHFFFAOYSA-N
MW173.16 g/mol
LogP2.34
Rot. Bonds2

About 3-(difluoromethyl)-4-methoxy-2-methylpyridine

3-(difluoromethyl)-4-methoxy-2-methylpyridine (PubChem CID 130097309) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-methoxy-2-methylpyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-4-methoxy-2-methylpyridine
PubChem CID130097309
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name3-(difluoromethyl)-4-methoxy-2-methylpyridine
SMILESCOc1ccnc(C)c1C(F)F
InChIInChI=1S/C8H9F2NO/c1-5-7(8(9)10)6(12-2)3-4-11-5/h3-4,8H,1-2H3
InChIKeyBTSJWWWKKHNJMW-UHFFFAOYSA-N
XLogP2.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethyl)-2-iodo-4-methoxypyridine
CID 130096639
2-amino-1-(4-methoxy-2-methyl-3-pyridinyl)ethanol
CID 84658495
3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride
CID 130097501
3-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine
CID 130097661
3-(bromomethyl)-2-(difluoromethyl)-4-methoxypyridine
CID 130097365
3-(difluoromethyl)-5-methoxypyridine-2,4-diamine
CID 119019295
2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine
CID 130087790
formic acid;4-methoxy-2-methylpyridin-3-ol
CID 156727769
3-(difluoromethyl)-2,5-dimethoxypyridin-4-amine
CID 130100785
4-methoxy-3-methyl-2-propan-2-ylpyridine
CID 130295970
(4-methoxy-2-methyl-3-pyridinyl) 2-methylpropanoate
CID 146481396
(4-methoxy-2-methyl-3-pyridinyl) acetate
CID 139337452

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-methoxy-2-methylpyridine?
The IUPAC name of 3-(difluoromethyl)-4-methoxy-2-methylpyridine (CID 130097309) is 3-(difluoromethyl)-4-methoxy-2-methylpyridine.
What is the SMILES notation for 3-(difluoromethyl)-4-methoxy-2-methylpyridine?
The canonical SMILES for 3-(difluoromethyl)-4-methoxy-2-methylpyridine is COc1ccnc(C)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-methoxy-2-methylpyridine?
The InChIKey is BTSJWWWKKHNJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-5-7(8(9)10)6(12-2)3-4-11-5/h3-4,8H,1-2H3.
What are the key properties of 3-(difluoromethyl)-4-methoxy-2-methylpyridine?
3-(difluoromethyl)-4-methoxy-2-methylpyridine has a molecular weight of 173.16 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-methoxy-2-methylpyridine is sourced from PubChem (CID 130097309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).