2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile

C13H11ClN4 — CID 83077164

IUPAC2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile
SMILESCc1cccnc1CNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C13H11ClN4/c1-9-3-2-4-16-11(9)8-17-13-6-10(7-15)5-12(14)18-13/h2-6H,8H2,1H3,(H,17,18)
InChIKeyZYCXGVBXFKVUHE-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.92
Rot. Bonds3

About 2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile

2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile (PubChem CID 83077164) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile
PubChem CID83077164
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile
SMILESCc1cccnc1CNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C13H11ClN4/c1-9-3-2-4-16-11(9)8-17-13-6-10(7-15)5-12(14)18-13/h2-6H,8H2,1H3,(H,17,18)
InChIKeyZYCXGVBXFKVUHE-UHFFFAOYSA-N
XLogP2.92
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 83072628
3-amino-4-[(3-methyl-2-pyridinyl)methylamino]benzonitrile
CID 63305745
4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile
CID 63306269
2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile
CID 83076516
2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 83074582
6-methyl-4-N-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 78942063
2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 106192881
2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile
CID 63306219
3,5-dichloro-2-N-ethyl-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
CID 102758257
2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 83077718
2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114769703
4-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 62481548

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile (CID 83077164) is 2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile is Cc1cccnc1CNc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile?
The InChIKey is ZYCXGVBXFKVUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-9-3-2-4-16-11(9)8-17-13-6-10(7-15)5-12(14)18-13/h2-6H,8H2,1H3,(H,17,18).
What are the key properties of 2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile?
2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile has a molecular weight of 258.71 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 83077164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).