2-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C13H9ClF3N3S — CID 78965959

IUPAC2-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCN(Cc1ccc(Cl)s1)c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H9ClF3N3S/c1-20(7-9-3-5-11(14)21-9)12-8(6-18)2-4-10(19-12)13(15,16)17/h2-5H,7H2,1H3
InChIKeyOJUVPMDGIOHBIT-UHFFFAOYSA-N
MW331.75 g/mol
LogP4.32
Rot. Bonds3

About 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 78965959) has the molecular formula C13H9ClF3N3S and a molecular weight of 331.75 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID78965959
Molecular FormulaC13H9ClF3N3S
Molecular Weight331.75 g/mol
Exact Mass331.02
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCN(Cc1ccc(Cl)s1)c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C13H9ClF3N3S/c1-20(7-9-3-5-11(14)21-9)12-8(6-18)2-4-10(19-12)13(15,16)17/h2-5H,7H2,1H3
InChIKeyOJUVPMDGIOHBIT-UHFFFAOYSA-N
XLogP4.32
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(pyridin-3-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965968
2-[methyl(2-methylsulfonylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966327
2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133413062
2-(dipropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873372
1-N-[(5-chlorothiophen-2-yl)methyl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 61438246
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715602
2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966431
2-[methyl(pyrrolidin-2-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106618416
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine
CID 79080525
2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966016
2-[propan-2-yl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869680
4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80799680

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 78965959) is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile is CN(Cc1ccc(Cl)s1)c1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is OJUVPMDGIOHBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N3S/c1-20(7-9-3-5-11(14)21-9)12-8(6-18)2-4-10(19-12)13(15,16)17/h2-5H,7H2,1H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 331.75 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 78965959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).