2-(2-chloro-4-nitrophenoxy)-4,6-dimethylpyridine-3-carbonitrile

C14H10ClN3O3 — CID 60677946

IUPAC2-(2-chloro-4-nitrophenoxy)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Oc2ccc([N+](=O)[O-])cc2Cl)n1
InChIInChI=1S/C14H10ClN3O3/c1-8-5-9(2)17-14(11(8)7-16)21-13-4-3-10(18(19)20)6-12(13)15/h3-6H,1-2H3
InChIKeyPMQINLSBGNQDAV-UHFFFAOYSA-N
MW303.71 g/mol
LogP3.92
Rot. Bonds3

About 2-(2-chloro-4-nitrophenoxy)-4,6-dimethylpyridine-3-carbonitrile

2-(2-chloro-4-nitrophenoxy)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 60677946) has the molecular formula C14H10ClN3O3 and a molecular weight of 303.71 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID60677946
Molecular FormulaC14H10ClN3O3
Molecular Weight303.71 g/mol
Exact Mass303.04
IUPAC Name2-(2-chloro-4-nitrophenoxy)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Oc2ccc([N+](=O)[O-])cc2Cl)n1
InChIInChI=1S/C14H10ClN3O3/c1-8-5-9(2)17-14(11(8)7-16)21-13-4-3-10(18(19)20)6-12(13)15/h3-6H,1-2H3
InChIKeyPMQINLSBGNQDAV-UHFFFAOYSA-N
XLogP3.92
TPSA89.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 53.92
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-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 60699117
2-(2-chloro-4-nitrophenoxy)-6-methylpyridine-4-carbonitrile
CID 114766888
2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 61175739
2-(2-chloro-4-nitrophenoxy)-5-nitrobenzonitrile
CID 4269103
4-(2-chloro-4-nitrophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80871357
2-chloro-4-(2-chloro-4-nitrophenoxy)-5-methylpyridine
CID 83268344
2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
CID 2210667
4-(2-chloro-4-nitrophenoxy)-3-methoxybenzonitrile
CID 9195338
2-(2-bromo-5-nitrophenoxy)-4-methylpyridine-3-carbonitrile
CID 103010086
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
2-(3,5-dichlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 60710655
3,5-dichloro-6-(2-methyl-4-nitrophenoxy)pyridin-2-amine
CID 102761149

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-4,6-dimethylpyridine-3-carbonitrile (CID 60677946) is 2-(2-chloro-4-nitrophenoxy)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Oc2ccc([N+](=O)[O-])cc2Cl)n1.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is PMQINLSBGNQDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3/c1-8-5-9(2)17-14(11(8)7-16)21-13-4-3-10(18(19)20)6-12(13)15/h3-6H,1-2H3.
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-4,6-dimethylpyridine-3-carbonitrile?
2-(2-chloro-4-nitrophenoxy)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 303.71 g/mol, XLogP of 3.92, 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)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 60677946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).