5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile

C10H10F3N3 — CID 115487744

IUPAC5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile
SMILESCN(CCC(F)(F)F)c1ccc(C#N)nc1
InChIInChI=1S/C10H10F3N3/c1-16(5-4-10(11,12)13)9-3-2-8(6-14)15-7-9/h2-3,7H,4-5H2,1H3
InChIKeyGPICELZXEZILPT-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.34
Rot. Bonds3

About 5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile

5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile (PubChem CID 115487744) has the molecular formula C10H10F3N3 and a molecular weight of 229.21 g/mol. Its IUPAC name is 5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile
PubChem CID115487744
Molecular FormulaC10H10F3N3
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile
SMILESCN(CCC(F)(F)F)c1ccc(C#N)nc1
InChIInChI=1S/C10H10F3N3/c1-16(5-4-10(11,12)13)9-3-2-8(6-14)15-7-9/h2-3,7H,4-5H2,1H3
InChIKeyGPICELZXEZILPT-UHFFFAOYSA-N
XLogP2.34
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile
CID 61397772
5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile
CID 115487373
5-[2-aminopropyl(methyl)amino]pyridine-2-carbonitrile
CID 130563574
tert-butyl N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylcarbamate
CID 86781803
5-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 115487439
5-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile
CID 115487708
4-N-methyl-4-N-(3,3,3-trifluoropropyl)benzene-1,4-diamine
CID 64566301
N-tert-butyl-2-[(6-cyano-3-pyridinyl)-methylamino]acetamide
CID 133358596
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-2-carbonitrile
CID 115487615
5-[furan-2-ylmethyl(methyl)amino]pyridine-2-carbonitrile
CID 79840143
5-[bis(trimethylsilyl)amino]pyridine-2-carbonitrile
CID 66606827
2-(1,2-benzoxazol-3-yl)-N-[2-[(6-cyano-3-pyridinyl)-methylamino]ethyl]-N-methylacetamide
CID 146148586

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile (CID 115487744) is 5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile is CN(CCC(F)(F)F)c1ccc(C#N)nc1.
What is the InChIKey of 5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile?
The InChIKey is GPICELZXEZILPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c1-16(5-4-10(11,12)13)9-3-2-8(6-14)15-7-9/h2-3,7H,4-5H2,1H3.
What are the key properties of 5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile?
5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile has a molecular weight of 229.21 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 115487744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).