6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile

C14H12ClN3 — CID 62197446

IUPAC6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile
SMILESCCNc1nc(-c2ccc(Cl)cc2)ccc1C#N
InChIInChI=1S/C14H12ClN3/c1-2-17-14-11(9-16)5-8-13(18-14)10-3-6-12(15)7-4-10/h3-8H,2H2,1H3,(H,17,18)
InChIKeyABUMUVLQLJWBTC-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.71
Rot. Bonds3

About 6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile

6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile (PubChem CID 62197446) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile
PubChem CID62197446
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile
SMILESCCNc1nc(-c2ccc(Cl)cc2)ccc1C#N
InChIInChI=1S/C14H12ClN3/c1-2-17-14-11(9-16)5-8-13(18-14)10-3-6-12(15)7-4-10/h3-8H,2H2,1H3,(H,17,18)
InChIKeyABUMUVLQLJWBTC-UHFFFAOYSA-N
XLogP3.71
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile (CID 62197446) is 6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile is CCNc1nc(-c2ccc(Cl)cc2)ccc1C#N.
What is the InChIKey of 6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile?
The InChIKey is ABUMUVLQLJWBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-2-17-14-11(9-16)5-8-13(18-14)10-3-6-12(15)7-4-10/h3-8H,2H2,1H3,(H,17,18).
What are the key properties of 6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile?
6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile has a molecular weight of 257.72 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 62197446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).