2-(2,4-difluorophenyl)-2-(pyridin-3-ylmethylamino)acetonitrile

C14H11F2N3 — CID 84817178

IUPAC2-(2,4-difluorophenyl)-2-(pyridin-3-ylmethylamino)acetonitrile
SMILESN#CC(NCc1cccnc1)c1ccc(F)cc1F
InChIInChI=1S/C14H11F2N3/c15-11-3-4-12(13(16)6-11)14(7-17)19-9-10-2-1-5-18-8-10/h1-6,8,14,19H,9H2
InChIKeyBEHXEPPORBTCAC-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.71
Rot. Bonds4

About 2-(2,4-difluorophenyl)-2-(pyridin-3-ylmethylamino)acetonitrile

2-(2,4-difluorophenyl)-2-(pyridin-3-ylmethylamino)acetonitrile (PubChem CID 84817178) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-(pyridin-3-ylmethylamino)acetonitrile.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-(pyridin-3-ylmethylamino)acetonitrile
PubChem CID84817178
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name2-(2,4-difluorophenyl)-2-(pyridin-3-ylmethylamino)acetonitrile
SMILESN#CC(NCc1cccnc1)c1ccc(F)cc1F
InChIInChI=1S/C14H11F2N3/c15-11-3-4-12(13(16)6-11)14(7-17)19-9-10-2-1-5-18-8-10/h1-6,8,14,19H,9H2
InChIKeyBEHXEPPORBTCAC-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano-(2,4-difluorophenyl)methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 56584285
2-(4-tert-butylphenyl)-2-(pyridin-3-ylmethylamino)acetonitrile
CID 82019992
N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62802705
1-(2,4-difluorophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 107519684
2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile
CID 43242702
2-(benzylamino)-2-(3-fluorophenyl)acetonitrile
CID 10823953
1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 103775385
1-(2-chloro-4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60913072
2-[(4-fluorophenyl)methylamino]-2-(2-methylphenyl)acetonitrile
CID 82019693
2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 54887054
1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 54864314
2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol
CID 29039016

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-(pyridin-3-ylmethylamino)acetonitrile?
The IUPAC name of 2-(2,4-difluorophenyl)-2-(pyridin-3-ylmethylamino)acetonitrile (CID 84817178) is 2-(2,4-difluorophenyl)-2-(pyridin-3-ylmethylamino)acetonitrile.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-(pyridin-3-ylmethylamino)acetonitrile?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-(pyridin-3-ylmethylamino)acetonitrile is N#CC(NCc1cccnc1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-(pyridin-3-ylmethylamino)acetonitrile?
The InChIKey is BEHXEPPORBTCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c15-11-3-4-12(13(16)6-11)14(7-17)19-9-10-2-1-5-18-8-10/h1-6,8,14,19H,9H2.
What are the key properties of 2-(2,4-difluorophenyl)-2-(pyridin-3-ylmethylamino)acetonitrile?
2-(2,4-difluorophenyl)-2-(pyridin-3-ylmethylamino)acetonitrile has a molecular weight of 259.26 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-(pyridin-3-ylmethylamino)acetonitrile is sourced from PubChem (CID 84817178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).