3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile

C14H11ClFN3 — CID 107056743

IUPAC3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCc2ccccc2F)c1Cl
InChIInChI=1S/C14H11ClFN3/c15-13-11(9-17)6-8-19-14(13)18-7-5-10-3-1-2-4-12(10)16/h1-4,6,8H,5,7H2,(H,18,19)
InChIKeyYVLXECGVQMNCOX-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.40
Rot. Bonds4

About 3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile

3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile (PubChem CID 107056743) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile
PubChem CID107056743
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCc2ccccc2F)c1Cl
InChIInChI=1S/C14H11ClFN3/c15-13-11(9-17)6-8-19-14(13)18-7-5-10-3-1-2-4-12(10)16/h1-4,6,8H,5,7H2,(H,18,19)
InChIKeyYVLXECGVQMNCOX-UHFFFAOYSA-N
XLogP3.40
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]benzoic acid
CID 107056431
2-chloro-4-[2-(2-fluorophenyl)ethylamino]benzonitrile
CID 55133882
3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile
CID 107058420
3-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carbonitrile
CID 106417648
N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 107056968
3-chloro-2-(prop-2-enylamino)pyridine-4-carbonitrile
CID 107056845
3-[2-(2-chlorophenyl)ethylamino]pyrazine-2-carbonitrile
CID 133284402
5-bromo-N-[2-(2-fluorophenyl)ethyl]isoquinolin-1-amine
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3-chloro-2-(3-fluoro-2-iodoanilino)pyridine-4-carbonitrile
CID 114260120
2-[2-(2-fluorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 32682078
2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061368
6-[2-(2-fluorophenyl)ethylamino]pyridine-3-carbonitrile
CID 24694772

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile (CID 107056743) is 3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile is N#Cc1ccnc(NCCc2ccccc2F)c1Cl.
What is the InChIKey of 3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile?
The InChIKey is YVLXECGVQMNCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c15-13-11(9-17)6-8-19-14(13)18-7-5-10-3-1-2-4-12(10)16/h1-4,6,8H,5,7H2,(H,18,19).
What are the key properties of 3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile?
3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile has a molecular weight of 275.71 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 107056743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).