2-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile

C13H8ClN3O3 — CID 114766888

IUPAC2-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Oc2ccc([N+](=O)[O-])cc2Cl)n1
InChIInChI=1S/C13H8ClN3O3/c1-8-4-9(7-15)5-13(16-8)20-12-3-2-10(17(18)19)6-11(12)14/h2-6H,1H3
InChIKeyMHHAATVASJNVQU-UHFFFAOYSA-N
MW289.68 g/mol
LogP3.62
Rot. Bonds3

About 2-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile

2-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile (PubChem CID 114766888) has the molecular formula C13H8ClN3O3 and a molecular weight of 289.68 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile
PubChem CID114766888
Molecular FormulaC13H8ClN3O3
Molecular Weight289.68 g/mol
Exact Mass289.03
IUPAC Name2-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Oc2ccc([N+](=O)[O-])cc2Cl)n1
InChIInChI=1S/C13H8ClN3O3/c1-8-4-9(7-15)5-13(16-8)20-12-3-2-10(17(18)19)6-11(12)14/h2-6H,1H3
InChIKeyMHHAATVASJNVQU-UHFFFAOYSA-N
XLogP3.62
TPSA89.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.68
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-5-nitrophenoxy)-6-methylpyridine-4-carbonitrile
CID 103010100
2-(2-chloro-4-nitrophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 60677946
4-(2-chloro-4-nitrophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80871357
4-(2-chloro-4-nitrophenoxy)-3-methoxybenzonitrile
CID 9195338
2-(2-chloro-4-nitrophenoxy)-5-nitrobenzonitrile
CID 4269103
6-(2-chloro-4-nitrophenoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 80878741
2-(3-chloro-2-fluorophenoxy)-6-methylpyridine-4-carbonitrile
CID 114766993
2-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyridine-4-carbonitrile
CID 103483256
3-(2-chloro-4-nitrophenoxy)-1-methylpyrazole
CID 166540212
2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine
CID 63963412
2-chloro-6-(2-chloro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 61031154
2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
CID 2210667

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile (CID 114766888) is 2-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(Oc2ccc([N+](=O)[O-])cc2Cl)n1.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile?
The InChIKey is MHHAATVASJNVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O3/c1-8-4-9(7-15)5-13(16-8)20-12-3-2-10(17(18)19)6-11(12)14/h2-6H,1H3.
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile?
2-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile has a molecular weight of 289.68 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).