6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile

C14H11F2N3 — CID 133474689

IUPAC6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCc2ccc(C(F)F)cc2)nc1
InChIInChI=1S/C14H11F2N3/c15-14(16)12-4-1-10(2-5-12)8-18-13-6-3-11(7-17)9-19-13/h1-6,9,14H,8H2,(H,18,19)
InChIKeyBUHSPXHLJMHTDQ-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.50
Rot. Bonds4

About 6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile

6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile (PubChem CID 133474689) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
PubChem CID133474689
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCc2ccc(C(F)F)cc2)nc1
InChIInChI=1S/C14H11F2N3/c15-14(16)12-4-1-10(2-5-12)8-18-13-6-3-11(7-17)9-19-13/h1-6,9,14H,8H2,(H,18,19)
InChIKeyBUHSPXHLJMHTDQ-UHFFFAOYSA-N
XLogP3.50
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(5-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 24705789
6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile
CID 47053874
6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
CID 56815275
6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile
CID 55084059
6-[[(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxypropyl]amino]pyridine-3-carbonitrile
CID 94819702
6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile
CID 52545859
6-[(4-cyanophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133346456
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile
CID 61220422
1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
CID 121004595
6-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile
CID 82873499
6-[(4-hydroxy-3,3-dimethyl-2-phenylbutyl)amino]pyridine-3-carbonitrile
CID 133400309

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile (CID 133474689) is 6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCc2ccc(C(F)F)cc2)nc1.
What is the InChIKey of 6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The InChIKey is BUHSPXHLJMHTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c15-14(16)12-4-1-10(2-5-12)8-18-13-6-3-11(7-17)9-19-13/h1-6,9,14H,8H2,(H,18,19).
What are the key properties of 6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile?
6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile has a molecular weight of 259.26 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133474689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).