3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile

C14H11Cl2N3 — CID 107057219

IUPAC3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile
SMILESCC(Nc1nccc(C#N)c1Cl)c1cccc(Cl)c1
InChIInChI=1S/C14H11Cl2N3/c1-9(10-3-2-4-12(15)7-10)19-14-13(16)11(8-17)5-6-18-14/h2-7,9H,1H3,(H,18,19)
InChIKeyVLAAFZLARWHMJW-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.43
Rot. Bonds3

About 3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile

3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile (PubChem CID 107057219) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile
PubChem CID107057219
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile
SMILESCC(Nc1nccc(C#N)c1Cl)c1cccc(Cl)c1
InChIInChI=1S/C14H11Cl2N3/c1-9(10-3-2-4-12(15)7-10)19-14-13(16)11(8-17)5-6-18-14/h2-7,9H,1H3,(H,18,19)
InChIKeyVLAAFZLARWHMJW-UHFFFAOYSA-N
XLogP4.43
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93417245
3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 107056636
2-[1-(2-aminophenyl)ethylamino]-3-chloropyridine-4-carbonitrile
CID 107061450
N-[1-(3-chlorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104730907
5-chloro-N-[1-(3-chlorophenyl)ethyl]-6-(1-fluoroethyl)pyrimidin-4-amine
CID 19104016
3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 47151232
3-chloro-2-(5-hydroxypentan-2-ylamino)pyridine-4-carbonitrile
CID 107058066
2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 60655016
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
[(1R)-1-(3-chlorophenyl)ethyl]cyanamide
CID 81372417
3-chloro-2-(1-hydroxypentan-3-ylamino)pyridine-4-carbonitrile
CID 107058460
4-[1-(3-chlorophenyl)ethylamino]-3,5-difluorobenzonitrile
CID 78988350

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile (CID 107057219) is 3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile is CC(Nc1nccc(C#N)c1Cl)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile?
The InChIKey is VLAAFZLARWHMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c1-9(10-3-2-4-12(15)7-10)19-14-13(16)11(8-17)5-6-18-14/h2-7,9H,1H3,(H,18,19).
What are the key properties of 3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile?
3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile has a molecular weight of 292.17 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 107057219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).