2-(3-chloro-4-nitrophenoxy)-6-methylpyridine-3-carbonitrile

C13H8ClN3O3 — CID 62113771

IUPAC2-(3-chloro-4-nitrophenoxy)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1
InChIInChI=1S/C13H8ClN3O3/c1-8-2-3-9(7-15)13(16-8)20-10-4-5-12(17(18)19)11(14)6-10/h2-6H,1H3
InChIKeyDWQRVHFSXCONQT-UHFFFAOYSA-N
MW289.68 g/mol
LogP3.62
Rot. Bonds3

About 2-(3-chloro-4-nitrophenoxy)-6-methylpyridine-3-carbonitrile

2-(3-chloro-4-nitrophenoxy)-6-methylpyridine-3-carbonitrile (PubChem CID 62113771) has the molecular formula C13H8ClN3O3 and a molecular weight of 289.68 g/mol. Its IUPAC name is 2-(3-chloro-4-nitrophenoxy)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-chloro-4-nitrophenoxy)-6-methylpyridine-3-carbonitrile
PubChem CID62113771
Molecular FormulaC13H8ClN3O3
Molecular Weight289.68 g/mol
Exact Mass289.03
IUPAC Name2-(3-chloro-4-nitrophenoxy)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1
InChIInChI=1S/C13H8ClN3O3/c1-8-2-3-9(7-15)13(16-8)20-10-4-5-12(17(18)19)11(14)6-10/h2-6H,1H3
InChIKeyDWQRVHFSXCONQT-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

4-chloro-2-(3-chloro-4-nitrophenoxy)benzonitrile
CID 63093764
2-(3-chloro-4-nitrophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 4649042
2-chloro-4-(2,4-dimethyl-6-nitrophenoxy)benzonitrile
CID 62948840
2,4-dichloro-6-(3-chloro-4-nitrophenoxy)-1,3,5-triazine
CID 62857419
6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile
CID 63648336
2-[4-chloro-3-(trifluoromethyl)phenoxy]-6-methyl-5-nitropyridine-3-carbonitrile
CID 66940256
2-bromo-6-(3-chloro-4-nitrophenoxy)benzonitrile
CID 114881660
2-(4-iodophenoxy)-6-methyl-3-nitropyridine
CID 81131555
2-chloro-4-(2-nitrophenoxy)benzonitrile
CID 62947163
4-(3-chloro-4-nitrophenoxy)-6-ethyl-5-fluoropyrimidine
CID 166192494
O-(6-methyl-3-nitro-2-pyridinyl)hydroxylamine
CID 81137851
5-[4-(3-cyano-4-nitrophenoxy)phenoxy]-2-nitrobenzonitrile
CID 57110748

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-nitrophenoxy)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(3-chloro-4-nitrophenoxy)-6-methylpyridine-3-carbonitrile (CID 62113771) is 2-(3-chloro-4-nitrophenoxy)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-chloro-4-nitrophenoxy)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3-chloro-4-nitrophenoxy)-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(Oc2ccc([N+](=O)[O-])c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-nitrophenoxy)-6-methylpyridine-3-carbonitrile?
The InChIKey is DWQRVHFSXCONQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O3/c1-8-2-3-9(7-15)13(16-8)20-10-4-5-12(17(18)19)11(14)6-10/h2-6H,1H3.
What are the key properties of 2-(3-chloro-4-nitrophenoxy)-6-methylpyridine-3-carbonitrile?
2-(3-chloro-4-nitrophenoxy)-6-methylpyridine-3-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-(3-chloro-4-nitrophenoxy)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 62113771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).