3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine

C9H12F2N2 — CID 160896325

IUPAC3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine
SMILESC=C1C(C(F)F)=CC(C)=CN1NC
InChIInChI=1S/C9H12F2N2/c1-6-4-8(9(10)11)7(2)13(5-6)12-3/h4-5,9,12H,2H2,1,3H3
InChIKeyILJGKUBNWHXYGA-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.05
Rot. Bonds2

About 3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine

3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine (PubChem CID 160896325) has the molecular formula C9H12F2N2 and a molecular weight of 186.20 g/mol. Its IUPAC name is 3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine
PubChem CID160896325
Molecular FormulaC9H12F2N2
Molecular Weight186.20 g/mol
Exact Mass186.10
IUPAC Name3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine
SMILESC=C1C(C(F)F)=CC(C)=CN1NC
InChIInChI=1S/C9H12F2N2/c1-6-4-8(9(10)11)7(2)13(5-6)12-3/h4-5,9,12H,2H2,1,3H3
InChIKeyILJGKUBNWHXYGA-UHFFFAOYSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Trifluoromethyl)-1,5-dihydropyrazolo[1,5-a]pyridine
CID 132183528
4-Chloro-2-methyl-6-(trifluoromethyl)-1,2-dihydropyrazolo[1,5-a]pyridine
CID 134334598
(2S,3Z)-5-methyl-3-[2-methyl-2-[(Z)-1,1,1-trifluorobut-2-en-2-yl]hydrazinyl]hexa-3,5-dien-2-amine
CID 137447313
(1E,3E,5E)-6-hydrazinyl-3-(trifluoromethyl)octa-1,3,5-trien-1-amine
CID 138535212
3-Cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole;ethane
CID 143926110
1-N,1-N-dimethyl-5-(trifluoromethyl)-2H-pyridine-1,3-diamine
CID 154495491
N,3-dimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium
CID 161823291
2-(2,2-Difluoroethyl)-1,7a-dihydroindazol-5-amine
CID 163989332
3-Cyclohexa-1,5-dien-1-yl-5-methyl-2-(2,2,2-trifluoroethyl)-1,5-dihydropyrazole
CID 143926111
3-fluoro-N,5-dimethyl-2-methylidenepyridin-1-amine
CID 147857381
3-(Difluoromethyl)-5-methyl-2-methylidenepyridin-1-amine
CID 159515003
3-Fluoro-5-methyl-2-methylidenepyridin-1-amine
CID 159920057

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine?
The IUPAC name of 3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine (CID 160896325) is 3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine.
What is the SMILES notation for 3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine?
The canonical SMILES for 3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine is C=C1C(C(F)F)=CC(C)=CN1NC.
What is the InChIKey of 3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine?
The InChIKey is ILJGKUBNWHXYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c1-6-4-8(9(10)11)7(2)13(5-6)12-3/h4-5,9,12H,2H2,1,3H3.
What are the key properties of 3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine?
3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine has a molecular weight of 186.20 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine is sourced from PubChem (CID 160896325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).