2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile

C15H14ClN3O — CID 106192881

IUPAC2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile
SMILESCOCc1ccccc1CNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C15H14ClN3O/c1-20-10-13-5-3-2-4-12(13)9-18-15-7-11(8-17)6-14(16)19-15/h2-7H,9-10H2,1H3,(H,18,19)
InChIKeyCDMYYARSPXBSTD-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.37
Rot. Bonds5

About 2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile

2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile (PubChem CID 106192881) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile
PubChem CID106192881
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile
SMILESCOCc1ccccc1CNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C15H14ClN3O/c1-20-10-13-5-3-2-4-12(13)9-18-15-7-11(8-17)6-14(16)19-15/h2-7H,9-10H2,1H3,(H,18,19)
InChIKeyCDMYYARSPXBSTD-UHFFFAOYSA-N
XLogP3.37
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.37
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-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 83077718
2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile
CID 83076516
2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 83072628
3-chloro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile
CID 102664142
2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 83074582
4,6-dichloro-N-[[2-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 114156429
2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile
CID 83077164
2-[[2-(methoxymethyl)phenyl]methylamino]-4-methylbenzonitrile
CID 62306735
2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile
CID 83076437
4-[[2-(methoxymethyl)phenyl]methylamino]-3-nitrobenzonitrile
CID 34002817
6-bromo-2-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106192890
2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114765939

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile (CID 106192881) is 2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile is COCc1ccccc1CNc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile?
The InChIKey is CDMYYARSPXBSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-20-10-13-5-3-2-4-12(13)9-18-15-7-11(8-17)6-14(16)19-15/h2-7H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile?
2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile has a molecular weight of 287.75 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 106192881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).