6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile

C14H11F2N3 — CID 133302426

IUPAC6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCc2ccc(F)cc2F)nc1
InChIInChI=1S/C14H11F2N3/c15-12-3-2-11(13(16)7-12)5-6-18-14-4-1-10(8-17)9-19-14/h1-4,7,9H,5-6H2,(H,18,19)
InChIKeyBXHNVGYZAKPFNX-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.89
Rot. Bonds4

About 6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile

6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile (PubChem CID 133302426) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile
PubChem CID133302426
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCc2ccc(F)cc2F)nc1
InChIInChI=1S/C14H11F2N3/c15-12-3-2-11(13(16)7-12)5-6-18-14-4-1-10(8-17)9-19-14/h1-4,7,9H,5-6H2,(H,18,19)
InChIKeyBXHNVGYZAKPFNX-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(2-fluorophenyl)ethylamino]pyridine-3-carbonitrile
CID 24694772
4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile
CID 133302391
6-[3-(3-fluorophenyl)propylamino]pyridine-3-carbonitrile
CID 133294986
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
N-[2-[(5-cyano-2-pyridinyl)amino]ethyl]-5-fluoro-2-hydroxybenzamide
CID 146091592
6-[2-(2,4-difluorophenyl)ethylamino]-N-propylpyridine-3-carboxamide
CID 133302604
6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile
CID 61220422
2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile
CID 62229071
3-fluoro-4-[[(5-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 63359185
6-[2-(2-cyano-3-fluoroanilino)ethylamino]pyridine-3-carbonitrile
CID 47030143
N-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine
CID 133471001
2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine
CID 115124195

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile (CID 133302426) is 6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCCc2ccc(F)cc2F)nc1.
What is the InChIKey of 6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is BXHNVGYZAKPFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c15-12-3-2-11(13(16)7-12)5-6-18-14-4-1-10(8-17)9-19-14/h1-4,7,9H,5-6H2,(H,18,19).
What are the key properties of 6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile?
6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 259.26 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133302426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).