6-chloro-4-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile

C10H10ClN3 — CID 157038112

IUPAC6-chloro-4-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile
SMILESCN(C)/C=C/c1cc(Cl)ncc1C#N
InChIInChI=1S/C10H10ClN3/c1-14(2)4-3-8-5-10(11)13-7-9(8)6-12/h3-5,7H,1-2H3/b4-3+
InChIKeyILQLULVXPQEQBV-ONEGZZNKSA-N
MW207.66 g/mol
LogP2.14
Rot. Bonds2

About 6-chloro-4-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile

6-chloro-4-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile (PubChem CID 157038112) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 6-chloro-4-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile
PubChem CID157038112
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name6-chloro-4-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile
SMILESCN(C)/C=C/c1cc(Cl)ncc1C#N
InChIInChI=1S/C10H10ClN3/c1-14(2)4-3-8-5-10(11)13-7-9(8)6-12/h3-5,7H,1-2H3/b4-3+
InChIKeyILQLULVXPQEQBV-ONEGZZNKSA-N
XLogP2.14
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(dimethylamino)ethenyl]pyridine-4-carbonitrile
CID 53441182
2-[2-(dimethylamino)ethenyl]benzonitrile
CID 54125819
4-[(E)-2-(dimethylamino)ethenyl]-2,6-dimethylpyridine-3-carbonitrile
CID 143841340
2-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N,N-dimethylethenamine
CID 173156210
methyl 2-(2-chloro-5-cyano-4-pyridinyl)acetate
CID 131074208
2-[(2-chloro-5-cyano-4-pyridinyl)amino]-N,N-dimethylbutanamide
CID 121272076
5-[(1R)-1-aminoprop-2-enyl]-2-chloropyridine-4-carbonitrile
CID 130834771
4-[(6-chloropyrimidin-4-yl)-methylamino]benzonitrile
CID 62982188
1-chloro-6,7-dimethoxyisoquinoline-4-carbonitrile
CID 87574214
4-amino-2-(dimethylamino)pyrimidine-5-carbonitrile
CID 53407869
5-chloro-1-methylpyrazolo[3,4-c]pyridine-3-carbonitrile
CID 170700378
(1E)-3-(6-chloro-3-pyridinyl)-N,N-dimethylbuta-1,3-dien-1-amine
CID 88982510

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile?
The IUPAC name of 6-chloro-4-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile (CID 157038112) is 6-chloro-4-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-chloro-4-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile is CN(C)/C=C/c1cc(Cl)ncc1C#N.
What is the InChIKey of 6-chloro-4-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile?
The InChIKey is ILQLULVXPQEQBV-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-14(2)4-3-8-5-10(11)13-7-9(8)6-12/h3-5,7H,1-2H3/b4-3+.
What are the key properties of 6-chloro-4-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile?
6-chloro-4-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile has a molecular weight of 207.66 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 157038112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).