2-chloro-6-(2-ethylphenyl)pyridine-3-carbonitrile

C14H11ClN2 — CID 84703537

IUPAC2-chloro-6-(2-ethylphenyl)pyridine-3-carbonitrile
SMILESCCc1ccccc1-c1ccc(C#N)c(Cl)n1
InChIInChI=1S/C14H11ClN2/c1-2-10-5-3-4-6-12(10)13-8-7-11(9-16)14(15)17-13/h3-8H,2H2,1H3
InChIKeySAQYOVRXMQFABE-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.84
Rot. Bonds2

About 2-chloro-6-(2-ethylphenyl)pyridine-3-carbonitrile

2-chloro-6-(2-ethylphenyl)pyridine-3-carbonitrile (PubChem CID 84703537) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-chloro-6-(2-ethylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-ethylphenyl)pyridine-3-carbonitrile
PubChem CID84703537
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name2-chloro-6-(2-ethylphenyl)pyridine-3-carbonitrile
SMILESCCc1ccccc1-c1ccc(C#N)c(Cl)n1
InChIInChI=1S/C14H11ClN2/c1-2-10-5-3-4-6-12(10)13-8-7-11(9-16)14(15)17-13/h3-8H,2H2,1H3
InChIKeySAQYOVRXMQFABE-UHFFFAOYSA-N
XLogP3.84
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4,6-dichloro-2-(2-ethylphenyl)-5-methylpyrimidine
CID 55217796
4,6-dichloro-2-(2-ethylphenyl)pyrimidine
CID 63612271
5-chloro-3-(2-ethylphenyl)-1H-1,2,4-triazole
CID 84675722
4,6-dichloro-2-(2-ethylphenyl)-5-propylpyrimidine
CID 63613349
2-chloro-6-ethoxypyridine-3-carbonitrile
CID 14687435
(6-chloro-5-cyano-2-pyridinyl) ethanesulfonate
CID 174986490
2-(2-ethylphenyl)-6-pyridin-2-ylpyridine
CID 163435471
(6-chloro-5-cyano-2-pyridinyl) propanoate
CID 175203357
3-ethylnaphthalene-2-carbonitrile
CID 54005757
6-[amino(ethyl)amino]-2-chloropyridine-3-carbonitrile
CID 131970588
2-chloro-6-(2-cyano-3-oxobutyl)pyridine-3-carbonitrile
CID 139369544
2-chloro-6-(methylamino)pyridine-3-carbonitrile
CID 119017816

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-ethylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-(2-ethylphenyl)pyridine-3-carbonitrile (CID 84703537) is 2-chloro-6-(2-ethylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-(2-ethylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-(2-ethylphenyl)pyridine-3-carbonitrile is CCc1ccccc1-c1ccc(C#N)c(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-ethylphenyl)pyridine-3-carbonitrile?
The InChIKey is SAQYOVRXMQFABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c1-2-10-5-3-4-6-12(10)13-8-7-11(9-16)14(15)17-13/h3-8H,2H2,1H3.
What are the key properties of 2-chloro-6-(2-ethylphenyl)pyridine-3-carbonitrile?
2-chloro-6-(2-ethylphenyl)pyridine-3-carbonitrile has a molecular weight of 242.71 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-ethylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 84703537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).