3,5-dichloro-2-methoxy-6-(3-nitrophenyl)pyridine

C12H8Cl2N2O3 — CID 121014556

IUPAC3,5-dichloro-2-methoxy-6-(3-nitrophenyl)pyridine
SMILESCOc1nc(-c2cccc([N+](=O)[O-])c2)c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2N2O3/c1-19-12-10(14)6-9(13)11(15-12)7-3-2-4-8(5-7)16(17)18/h2-6H,1H3
InChIKeyZROLODKDTXJBML-UHFFFAOYSA-N
MW299.11 g/mol
LogP3.97
Rot. Bonds3

About 3,5-dichloro-2-methoxy-6-(3-nitrophenyl)pyridine

3,5-dichloro-2-methoxy-6-(3-nitrophenyl)pyridine (PubChem CID 121014556) has the molecular formula C12H8Cl2N2O3 and a molecular weight of 299.11 g/mol. Its IUPAC name is 3,5-dichloro-2-methoxy-6-(3-nitrophenyl)pyridine.

Molecular Properties

Compound Name3,5-dichloro-2-methoxy-6-(3-nitrophenyl)pyridine
PubChem CID121014556
Molecular FormulaC12H8Cl2N2O3
Molecular Weight299.11 g/mol
Exact Mass297.99
IUPAC Name3,5-dichloro-2-methoxy-6-(3-nitrophenyl)pyridine
SMILESCOc1nc(-c2cccc([N+](=O)[O-])c2)c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2N2O3/c1-19-12-10(14)6-9(13)11(15-12)7-3-2-4-8(5-7)16(17)18/h2-6H,1H3
InChIKeyZROLODKDTXJBML-UHFFFAOYSA-N
XLogP3.97
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-methoxy-2-(3-nitrophenyl)-6-phenylpyridine
CID 11077630
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
2-methoxy-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylic acid
CID 21077787
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
1,4-dichloro-2-nitro-5-(3-nitrophenyl)benzene
CID 173315914
4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine
CID 15453442
5-methoxy-3-(3-nitrophenyl)-1,2-oxazole
CID 154683649
6-[dideuterio(1H-pyrazol-4-yl)methyl]-3-(111C)methoxy-2-(3-nitrophenyl)pyridine
CID 155632012
2,6-bis(4-methoxyphenyl)-4-(3-nitrophenyl)pyrylium
CID 134912639
3-methoxy-4-(3-nitrophenyl)phenol
CID 24767500
2-chloro-6-ethyl-4-(3-nitrophenyl)pyridine
CID 13402562

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-methoxy-6-(3-nitrophenyl)pyridine?
The IUPAC name of 3,5-dichloro-2-methoxy-6-(3-nitrophenyl)pyridine (CID 121014556) is 3,5-dichloro-2-methoxy-6-(3-nitrophenyl)pyridine.
What is the SMILES notation for 3,5-dichloro-2-methoxy-6-(3-nitrophenyl)pyridine?
The canonical SMILES for 3,5-dichloro-2-methoxy-6-(3-nitrophenyl)pyridine is COc1nc(-c2cccc([N+](=O)[O-])c2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-methoxy-6-(3-nitrophenyl)pyridine?
The InChIKey is ZROLODKDTXJBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3/c1-19-12-10(14)6-9(13)11(15-12)7-3-2-4-8(5-7)16(17)18/h2-6H,1H3.
What are the key properties of 3,5-dichloro-2-methoxy-6-(3-nitrophenyl)pyridine?
3,5-dichloro-2-methoxy-6-(3-nitrophenyl)pyridine has a molecular weight of 299.11 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-methoxy-6-(3-nitrophenyl)pyridine is sourced from PubChem (CID 121014556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).