1-N,1-N-dimethyl-5-(trifluoromethyl)-2H-pyridine-1,3-diamine

C8H12F3N3 — CID 154495491

IUPAC1-N,1-N-dimethyl-5-(trifluoromethyl)-2H-pyridine-1,3-diamine
SMILESCN(C)N1C=C(C(F)(F)F)C=C(N)C1
InChIInChI=1S/C8H12F3N3/c1-13(2)14-4-6(8(9,10)11)3-7(12)5-14/h3-4H,5,12H2,1-2H3
InChIKeyYKQOPAVOMSRIGX-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.07
Rot. Bonds1

About 1-N,1-N-dimethyl-5-(trifluoromethyl)-2H-pyridine-1,3-diamine

1-N,1-N-dimethyl-5-(trifluoromethyl)-2H-pyridine-1,3-diamine (PubChem CID 154495491) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-5-(trifluoromethyl)-2H-pyridine-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-5-(trifluoromethyl)-2H-pyridine-1,3-diamine
PubChem CID154495491
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name1-N,1-N-dimethyl-5-(trifluoromethyl)-2H-pyridine-1,3-diamine
SMILESCN(C)N1C=C(C(F)(F)F)C=C(N)C1
InChIInChI=1S/C8H12F3N3/c1-13(2)14-4-6(8(9,10)11)3-7(12)5-14/h3-4H,5,12H2,1-2H3
InChIKeyYKQOPAVOMSRIGX-UHFFFAOYSA-N
XLogP1.07
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2E,4E,6E)-4-[amino(methyl)amino]-6-(trifluoromethyl)octa-2,4,6-trien-3-amine
CID 134239276
2-methyl-5-(trifluoromethyl)-1H-pyridine-2,3-diamine
CID 139433951
(Z)-1-(1,2-dihydropyridin-2-yl)prop-1-en-1-amine;trifluoromethanamine
CID 144724033
4-(difluoromethyl)-5-methyl-2-methylidene-1H-pyridine
CID 145360008
ethane;5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine
CID 145360065
5-methyl-2-methylidene-4-(trifluoromethyl)-1H-pyridine
CID 145360066
1-methyl-5-(trifluoromethyl)-2H-pyridin-3-amine
CID 150940724
2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2,3-diamine
CID 154162173
N,N-dimethyl-2-methylidene-5-(trifluoromethyl)pyridin-1-amine
CID 163687782
3-(1,1-Difluoroethyl)-5-[dimethylamino(methyl)amino]cyclopenta-1,3,4-trien-1-amine
CID 176546175
1-N-ethenyl-2-N-[(2E,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]prop-2-ene-1,2-diamine
CID 144442043
3-fluoro-N,N,5-trimethyl-2-methylidenepyridin-1-amine
CID 158083783

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-5-(trifluoromethyl)-2H-pyridine-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-5-(trifluoromethyl)-2H-pyridine-1,3-diamine (CID 154495491) is 1-N,1-N-dimethyl-5-(trifluoromethyl)-2H-pyridine-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-5-(trifluoromethyl)-2H-pyridine-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-5-(trifluoromethyl)-2H-pyridine-1,3-diamine is CN(C)N1C=C(C(F)(F)F)C=C(N)C1.
What is the InChIKey of 1-N,1-N-dimethyl-5-(trifluoromethyl)-2H-pyridine-1,3-diamine?
The InChIKey is YKQOPAVOMSRIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-13(2)14-4-6(8(9,10)11)3-7(12)5-14/h3-4H,5,12H2,1-2H3.
What are the key properties of 1-N,1-N-dimethyl-5-(trifluoromethyl)-2H-pyridine-1,3-diamine?
1-N,1-N-dimethyl-5-(trifluoromethyl)-2H-pyridine-1,3-diamine has a molecular weight of 207.20 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-5-(trifluoromethyl)-2H-pyridine-1,3-diamine is sourced from PubChem (CID 154495491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).