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

C10H10F3N3 — CID 61397772

IUPAC6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile
SMILESCN(CCC(F)(F)F)c1ccc(C#N)cn1
InChIInChI=1S/C10H10F3N3/c1-16(5-4-10(11,12)13)9-3-2-8(6-14)7-15-9/h2-3,7H,4-5H2,1H3
InChIKeyUCYMYHJMPDSMGT-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.34
Rot. Bonds3

About 6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile

6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile (PubChem CID 61397772) has the molecular formula C10H10F3N3 and a molecular weight of 229.21 g/mol. Its IUPAC name is 6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile
PubChem CID61397772
Molecular FormulaC10H10F3N3
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile
SMILESCN(CCC(F)(F)F)c1ccc(C#N)cn1
InChIInChI=1S/C10H10F3N3/c1-16(5-4-10(11,12)13)9-3-2-8(6-14)7-15-9/h2-3,7H,4-5H2,1H3
InChIKeyUCYMYHJMPDSMGT-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

N-methyl-5-(trifluoromethoxy)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 133490362
5-[methyl(3,3,3-trifluoropropyl)amino]pyridine-2-carbonitrile
CID 115487744
6-[benzyl(methyl)amino]pyridine-3-carbonitrile
CID 24690148
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile
CID 28799351
N'-hydroxy-6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carboximidamide
CID 77073333
(E)-3-[6-[methyl(3,3,3-trifluoropropyl)amino]-3-pyridinyl]prop-2-enoic acid
CID 80633336
6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 133431107
6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 47135740
6-[2-(dimethylamino)ethyl]pyridine-3-carbonitrile
CID 82411113
6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile
CID 51301153
6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile
CID 82788068
6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile
CID 115268088

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile (CID 61397772) is 6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile is CN(CCC(F)(F)F)c1ccc(C#N)cn1.
What is the InChIKey of 6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile?
The InChIKey is UCYMYHJMPDSMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c1-16(5-4-10(11,12)13)9-3-2-8(6-14)7-15-9/h2-3,7H,4-5H2,1H3.
What are the key properties of 6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile?
6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-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 6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 61397772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).