2-[2-(3-chlorophenyl)ethylamino]pyridine-3-carbonitrile

C14H12ClN3 — CID 39743124

IUPAC2-[2-(3-chlorophenyl)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCCc1cccc(Cl)c1
InChIInChI=1S/C14H12ClN3/c15-13-5-1-3-11(9-13)6-8-18-14-12(10-16)4-2-7-17-14/h1-5,7,9H,6,8H2,(H,17,18)
InChIKeyZYVGAVYZVGSNAF-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.26
Rot. Bonds4

About 2-[2-(3-chlorophenyl)ethylamino]pyridine-3-carbonitrile

2-[2-(3-chlorophenyl)ethylamino]pyridine-3-carbonitrile (PubChem CID 39743124) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethylamino]pyridine-3-carbonitrile
PubChem CID39743124
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name2-[2-(3-chlorophenyl)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCCc1cccc(Cl)c1
InChIInChI=1S/C14H12ClN3/c15-13-5-1-3-11(9-13)6-8-18-14-12(10-16)4-2-7-17-14/h1-5,7,9H,6,8H2,(H,17,18)
InChIKeyZYVGAVYZVGSNAF-UHFFFAOYSA-N
XLogP3.26
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]pyridine-3-carbonitrile (CID 39743124) is 2-[2-(3-chlorophenyl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethylamino]pyridine-3-carbonitrile is N#Cc1cccnc1NCCc1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is ZYVGAVYZVGSNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c15-13-5-1-3-11(9-13)6-8-18-14-12(10-16)4-2-7-17-14/h1-5,7,9H,6,8H2,(H,17,18).
What are the key properties of 2-[2-(3-chlorophenyl)ethylamino]pyridine-3-carbonitrile?
2-[2-(3-chlorophenyl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 257.72 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 39743124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).