3-N,2-dimethyl-5-(trifluoromethyl)pyridine-3,4-diamine

C8H10F3N3 — CID 172738194

IUPAC3-N,2-dimethyl-5-(trifluoromethyl)pyridine-3,4-diamine
SMILESCNc1c(C)ncc(C(F)(F)F)c1N
InChIInChI=1S/C8H10F3N3/c1-4-7(13-2)6(12)5(3-14-4)8(9,10)11/h3,13H,1-2H3,(H2,12,14)
InChIKeyISQYLBSBFTWNOY-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.03
Rot. Bonds1

About 3-N,2-dimethyl-5-(trifluoromethyl)pyridine-3,4-diamine

3-N,2-dimethyl-5-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 172738194) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 3-N,2-dimethyl-5-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name3-N,2-dimethyl-5-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID172738194
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name3-N,2-dimethyl-5-(trifluoromethyl)pyridine-3,4-diamine
SMILESCNc1c(C)ncc(C(F)(F)F)c1N
InChIInChI=1S/C8H10F3N3/c1-4-7(13-2)6(12)5(3-14-4)8(9,10)11/h3,13H,1-2H3,(H2,12,14)
InChIKeyISQYLBSBFTWNOY-UHFFFAOYSA-N
XLogP2.03
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-4-(trifluoromethyl)pyridine-2,3-diamine
CID 172685718
2-methyl-4-phenyl-5-(trifluoromethyl)pyridin-3-amine
CID 174629895
2-N-methyl-3-(trifluoromethyl)benzene-1,2-diamine
CID 121415871
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine
CID 119006850
4-N-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,4-diamine
CID 89383731
3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine
CID 134674506
2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine
CID 118812353
2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine
CID 130102000
3-(difluoromethyl)-4-iodo-2-methyl-5-(trifluoromethyl)pyridine
CID 130086106
methyl 4-amino-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134685827
4-N-methyl-2-N-[3-methyl-2-(methylamino)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 174321925
4-iodo-2-methyl-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134661634

Frequently Asked Questions

What is the IUPAC name of 3-N,2-dimethyl-5-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 3-N,2-dimethyl-5-(trifluoromethyl)pyridine-3,4-diamine (CID 172738194) is 3-N,2-dimethyl-5-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 3-N,2-dimethyl-5-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 3-N,2-dimethyl-5-(trifluoromethyl)pyridine-3,4-diamine is CNc1c(C)ncc(C(F)(F)F)c1N.
What is the InChIKey of 3-N,2-dimethyl-5-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is ISQYLBSBFTWNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-4-7(13-2)6(12)5(3-14-4)8(9,10)11/h3,13H,1-2H3,(H2,12,14).
What are the key properties of 3-N,2-dimethyl-5-(trifluoromethyl)pyridine-3,4-diamine?
3-N,2-dimethyl-5-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 205.18 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,2-dimethyl-5-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 172738194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).