3-chloro-6-[2-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile

C14H11ClFN3 — CID 133282942

IUPAC3-chloro-6-[2-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NCCc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C14H11ClFN3/c15-12-5-6-14(19-13(12)9-17)18-8-7-10-1-3-11(16)4-2-10/h1-6H,7-8H2,(H,18,19)
InChIKeyRQRXSZCQRZQMHH-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.40
Rot. Bonds4

About 3-chloro-6-[2-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile

3-chloro-6-[2-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile (PubChem CID 133282942) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 3-chloro-6-[2-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[2-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile
PubChem CID133282942
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name3-chloro-6-[2-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NCCc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C14H11ClFN3/c15-12-5-6-14(19-13(12)9-17)18-8-7-10-1-3-11(16)4-2-10/h1-6H,7-8H2,(H,18,19)
InChIKeyRQRXSZCQRZQMHH-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

3-chloro-6-(hexylamino)pyridine-2-carbonitrile
CID 56583872
3-chloro-6-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]pyridine-2-carbonitrile
CID 133350977
3-chloro-6-[2-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carbonitrile
CID 56583943
3-chloro-6-[2-(4-ethylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile
CID 133351338
6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80785034
3-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-2-carbonitrile
CID 133327421
3-chloro-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-2-carbonitrile
CID 133370751
2-[4-[[(5-chloro-6-cyano-2-pyridinyl)amino]methyl]phenoxy]acetamide
CID 75424443
2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383464
3-chloro-6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carbonitrile
CID 133309541
4-[[5-[2-(4-fluorophenyl)ethylamino]-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112953755
4-[[4-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112920828

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[2-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile (CID 133282942) is 3-chloro-6-[2-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[2-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[2-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile is N#Cc1nc(NCCc2ccc(F)cc2)ccc1Cl.
What is the InChIKey of 3-chloro-6-[2-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is RQRXSZCQRZQMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c15-12-5-6-14(19-13(12)9-17)18-8-7-10-1-3-11(16)4-2-10/h1-6H,7-8H2,(H,18,19).
What are the key properties of 3-chloro-6-[2-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile?
3-chloro-6-[2-(4-fluorophenyl)ethylamino]pyridine-2-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-6-[2-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133282942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).