5-chloro-6-[(2,3-dichlorophenyl)methyl-methylamino]pyridine-3-carbonitrile

C14H10Cl3N3 — CID 51135200

IUPAC5-chloro-6-[(2,3-dichlorophenyl)methyl-methylamino]pyridine-3-carbonitrile
SMILESCN(Cc1cccc(Cl)c1Cl)c1ncc(C#N)cc1Cl
InChIInChI=1S/C14H10Cl3N3/c1-20(8-10-3-2-4-11(15)13(10)17)14-12(16)5-9(6-18)7-19-14/h2-5,7H,8H2,1H3
InChIKeyZLSBYGVLMIJIDO-UHFFFAOYSA-N
MW326.61 g/mol
LogP4.55
Rot. Bonds3

About 5-chloro-6-[(2,3-dichlorophenyl)methyl-methylamino]pyridine-3-carbonitrile

5-chloro-6-[(2,3-dichlorophenyl)methyl-methylamino]pyridine-3-carbonitrile (PubChem CID 51135200) has the molecular formula C14H10Cl3N3 and a molecular weight of 326.61 g/mol. Its IUPAC name is 5-chloro-6-[(2,3-dichlorophenyl)methyl-methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[(2,3-dichlorophenyl)methyl-methylamino]pyridine-3-carbonitrile
PubChem CID51135200
Molecular FormulaC14H10Cl3N3
Molecular Weight326.61 g/mol
Exact Mass324.99
IUPAC Name5-chloro-6-[(2,3-dichlorophenyl)methyl-methylamino]pyridine-3-carbonitrile
SMILESCN(Cc1cccc(Cl)c1Cl)c1ncc(C#N)cc1Cl
InChIInChI=1S/C14H10Cl3N3/c1-20(8-10-3-2-4-11(15)13(10)17)14-12(16)5-9(6-18)7-19-14/h2-5,7H,8H2,1H3
InChIKeyZLSBYGVLMIJIDO-UHFFFAOYSA-N
XLogP4.55
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.61
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile
CID 107306399
3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 55025705
2-[(2,3-dichlorophenyl)methyl-methylamino]benzonitrile
CID 103604235
6-[benzyl(methyl)amino]-5-methylpyridine-3-carbonitrile
CID 102544753
N-[(2,3-dichlorophenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 99844641
5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 103467604
5-chloro-6-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]pyridine-3-carbonitrile
CID 128993168
3-[[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 63728710
[5-chloro-6-[(2-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 61417850
5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80630348
5-(2-aminopropyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80630036
3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
CID 62289541

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2,3-dichlorophenyl)methyl-methylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[(2,3-dichlorophenyl)methyl-methylamino]pyridine-3-carbonitrile (CID 51135200) is 5-chloro-6-[(2,3-dichlorophenyl)methyl-methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[(2,3-dichlorophenyl)methyl-methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[(2,3-dichlorophenyl)methyl-methylamino]pyridine-3-carbonitrile is CN(Cc1cccc(Cl)c1Cl)c1ncc(C#N)cc1Cl.
What is the InChIKey of 5-chloro-6-[(2,3-dichlorophenyl)methyl-methylamino]pyridine-3-carbonitrile?
The InChIKey is ZLSBYGVLMIJIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3/c1-20(8-10-3-2-4-11(15)13(10)17)14-12(16)5-9(6-18)7-19-14/h2-5,7H,8H2,1H3.
What are the key properties of 5-chloro-6-[(2,3-dichlorophenyl)methyl-methylamino]pyridine-3-carbonitrile?
5-chloro-6-[(2,3-dichlorophenyl)methyl-methylamino]pyridine-3-carbonitrile has a molecular weight of 326.61 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2,3-dichlorophenyl)methyl-methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 51135200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).