2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile

C14H12ClN3O2 — CID 83072934

IUPAC2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile
SMILESCOc1cc(Nc2cc(C#N)cc(Cl)n2)cc(OC)c1
InChIInChI=1S/C14H12ClN3O2/c1-19-11-5-10(6-12(7-11)20-2)17-14-4-9(8-16)3-13(15)18-14/h3-7H,1-2H3,(H,17,18)
InChIKeyKOUYVICSARLBPX-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.37
Rot. Bonds4

About 2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile

2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile (PubChem CID 83072934) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile
PubChem CID83072934
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile
SMILESCOc1cc(Nc2cc(C#N)cc(Cl)n2)cc(OC)c1
InChIInChI=1S/C14H12ClN3O2/c1-19-11-5-10(6-12(7-11)20-2)17-14-4-9(8-16)3-13(15)18-14/h3-7H,1-2H3,(H,17,18)
InChIKeyKOUYVICSARLBPX-UHFFFAOYSA-N
XLogP3.37
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(4-methylanilino)pyridine-4-carbonitrile
CID 83073400
2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile
CID 114766532
6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 64590042
2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile
CID 83072936
2-chloro-6-(3-fluoro-4-methylanilino)pyridine-4-carbonitrile
CID 83074701
2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
CID 83074583
2-chloro-6-methoxypyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile
CID 159564472
4-[[2-chloro-6-(4-cyanoanilino)-4-pyridinyl]oxy]-3,5-dimethylbenzonitrile
CID 127027057
2-(4-bromo-2,6-dimethylanilino)-6-chloropyridine-4-carbonitrile
CID 83077417
sodium;2-chloro-6-methoxypyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methanolate
CID 162232377
2-chloro-6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-4-carbonitrile
CID 83077583
3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-5-methoxybenzonitrile
CID 103566676

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile (CID 83072934) is 2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile is COc1cc(Nc2cc(C#N)cc(Cl)n2)cc(OC)c1.
What is the InChIKey of 2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile?
The InChIKey is KOUYVICSARLBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-19-11-5-10(6-12(7-11)20-2)17-14-4-9(8-16)3-13(15)18-14/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile?
2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile has a molecular weight of 289.72 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 83072934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).