2-[2-(3,5-difluorophenyl)ethylamino]pyridine-4-carbonitrile

C14H11F2N3 — CID 62615257

IUPAC2-[2-(3,5-difluorophenyl)ethylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H11F2N3/c15-12-5-10(6-13(16)8-12)1-3-18-14-7-11(9-17)2-4-19-14/h2,4-8H,1,3H2,(H,18,19)
InChIKeyHCKUZCMPUPODPJ-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.89
Rot. Bonds4

About 2-[2-(3,5-difluorophenyl)ethylamino]pyridine-4-carbonitrile

2-[2-(3,5-difluorophenyl)ethylamino]pyridine-4-carbonitrile (PubChem CID 62615257) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenyl)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenyl)ethylamino]pyridine-4-carbonitrile
PubChem CID62615257
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name2-[2-(3,5-difluorophenyl)ethylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H11F2N3/c15-12-5-10(6-13(16)8-12)1-3-18-14-7-11(9-17)2-4-19-14/h2,4-8H,1,3H2,(H,18,19)
InChIKeyHCKUZCMPUPODPJ-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

2-(2-hydroxyethylamino)pyridine-4-carbonitrile
CID 22309035
2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile
CID 80683010
3-amino-4-[2-(3,5-difluorophenyl)ethylamino]benzonitrile
CID 62605345
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile
CID 79749854
N-[2-(3,5-difluorophenyl)ethyl]-6-fluoropyrimidin-4-amine
CID 113305702
2-[2-(dimethylamino)ethylamino]pyridine-4-carbonitrile
CID 24703925
2-[2-(trifluoromethylsulfanyl)ethylamino]pyridine-4-carbonitrile
CID 106428707
2-(pent-3-ynylamino)pyridine-4-carbonitrile
CID 116644253
2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile
CID 62229071
2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile
CID 60917893
2-(4-methylpentylamino)pyridine-4-carbonitrile
CID 61039208
N-[2-(3,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine
CID 113482614

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenyl)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-[2-(3,5-difluorophenyl)ethylamino]pyridine-4-carbonitrile (CID 62615257) is 2-[2-(3,5-difluorophenyl)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-(3,5-difluorophenyl)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[2-(3,5-difluorophenyl)ethylamino]pyridine-4-carbonitrile is N#Cc1ccnc(NCCc2cc(F)cc(F)c2)c1.
What is the InChIKey of 2-[2-(3,5-difluorophenyl)ethylamino]pyridine-4-carbonitrile?
The InChIKey is HCKUZCMPUPODPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c15-12-5-10(6-13(16)8-12)1-3-18-14-7-11(9-17)2-4-19-14/h2,4-8H,1,3H2,(H,18,19).
What are the key properties of 2-[2-(3,5-difluorophenyl)ethylamino]pyridine-4-carbonitrile?
2-[2-(3,5-difluorophenyl)ethylamino]pyridine-4-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 2-[2-(3,5-difluorophenyl)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 62615257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).