3-chloro-2-(2-ethyl-6-methylanilino)pyridine-4-carbonitrile

C15H14ClN3 — CID 107056671

IUPAC3-chloro-2-(2-ethyl-6-methylanilino)pyridine-4-carbonitrile
SMILESCCc1cccc(C)c1Nc1nccc(C#N)c1Cl
InChIInChI=1S/C15H14ClN3/c1-3-11-6-4-5-10(2)14(11)19-15-13(16)12(9-17)7-8-18-15/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyQXZIYHSKJOZNDK-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.22
Rot. Bonds3

About 3-chloro-2-(2-ethyl-6-methylanilino)pyridine-4-carbonitrile

3-chloro-2-(2-ethyl-6-methylanilino)pyridine-4-carbonitrile (PubChem CID 107056671) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-chloro-2-(2-ethyl-6-methylanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(2-ethyl-6-methylanilino)pyridine-4-carbonitrile
PubChem CID107056671
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name3-chloro-2-(2-ethyl-6-methylanilino)pyridine-4-carbonitrile
SMILESCCc1cccc(C)c1Nc1nccc(C#N)c1Cl
InChIInChI=1S/C15H14ClN3/c1-3-11-6-4-5-10(2)14(11)19-15-13(16)12(9-17)7-8-18-15/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyQXZIYHSKJOZNDK-UHFFFAOYSA-N
XLogP4.22
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(2,6-difluoro-3-methylanilino)pyridine-4-carbonitrile
CID 107058219
3-N-(2-ethyl-6-methylphenyl)pyrazine-2,3-diamine
CID 102984823
2-(2-chloro-6-methylanilino)pyridine-3-carbonitrile
CID 66256473
4-(2-ethyl-6-methylanilino)-2,3-difluorobenzonitrile
CID 107933149
3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile
CID 107056789
3-chloro-2-(4-fluoro-3-methylanilino)pyridine-4-carbonitrile
CID 107057585
2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061368
3-chloro-2-(2-chloro-5-methylanilino)pyridine-4-carbonitrile
CID 107635144
3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile
CID 107056741
3-chloro-2-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile
CID 107057985
3-amino-2-(2-ethylanilino)pyridine-4-carbonitrile
CID 82817206
N-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109220395

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-ethyl-6-methylanilino)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(2-ethyl-6-methylanilino)pyridine-4-carbonitrile (CID 107056671) is 3-chloro-2-(2-ethyl-6-methylanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(2-ethyl-6-methylanilino)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(2-ethyl-6-methylanilino)pyridine-4-carbonitrile is CCc1cccc(C)c1Nc1nccc(C#N)c1Cl.
What is the InChIKey of 3-chloro-2-(2-ethyl-6-methylanilino)pyridine-4-carbonitrile?
The InChIKey is QXZIYHSKJOZNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-3-11-6-4-5-10(2)14(11)19-15-13(16)12(9-17)7-8-18-15/h4-8H,3H2,1-2H3,(H,18,19).
What are the key properties of 3-chloro-2-(2-ethyl-6-methylanilino)pyridine-4-carbonitrile?
3-chloro-2-(2-ethyl-6-methylanilino)pyridine-4-carbonitrile has a molecular weight of 271.75 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-ethyl-6-methylanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 107056671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).