2-chloro-6-methoxy-4-methyl-3-nitropyridine

C7H7ClN2O3 — CID 146235051

IUPAC2-chloro-6-methoxy-4-methyl-3-nitropyridine
SMILESCOc1cc(C)c([N+](=O)[O-])c(Cl)n1
InChIInChI=1S/C7H7ClN2O3/c1-4-3-5(13-2)9-7(8)6(4)10(11)12/h3H,1-2H3
InChIKeyUGYBWFACWGZRIN-UHFFFAOYSA-N
MW202.60 g/mol
LogP1.96
Rot. Bonds2

About 2-chloro-6-methoxy-4-methyl-3-nitropyridine

2-chloro-6-methoxy-4-methyl-3-nitropyridine (PubChem CID 146235051) has the molecular formula C7H7ClN2O3 and a molecular weight of 202.60 g/mol. Its IUPAC name is 2-chloro-6-methoxy-4-methyl-3-nitropyridine.

Molecular Properties

Compound Name2-chloro-6-methoxy-4-methyl-3-nitropyridine
PubChem CID146235051
Molecular FormulaC7H7ClN2O3
Molecular Weight202.60 g/mol
Exact Mass202.01
IUPAC Name2-chloro-6-methoxy-4-methyl-3-nitropyridine
SMILESCOc1cc(C)c([N+](=O)[O-])c(Cl)n1
InChIInChI=1S/C7H7ClN2O3/c1-4-3-5(13-2)9-7(8)6(4)10(11)12/h3H,1-2H3
InChIKeyUGYBWFACWGZRIN-UHFFFAOYSA-N
XLogP1.96
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-ethylsulfanyl-4-methyl-3-nitropyridine
CID 168966942
4-chloro-2-methoxy-5-methyl-8-nitroquinoline
CID 67077345
2-[(6-chloro-3-pyridinyl)methyl-(6-methoxy-4-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 155666825
4-methyl-3-nitro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134682178
2,4,7-trichloro-6-methoxy-3-nitroquinoline
CID 97181891
4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine
CID 118811329
2,4-dichloro-6-methyl-5-nitropyrimidine
CID 131668662
1-bromo-5-methoxy-3-methyl-2-nitrobenzene
CID 86107754
4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine
CID 118834452
5-chloro-7-methoxy-1,3-dimethyl-1,6-naphthyridin-2-one
CID 177344056
4,6-dimethoxy-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]pyrimidine
CID 54534201
6-methoxy-2,4-dimethyl-3-propan-2-ylpyridine
CID 89494847

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-4-methyl-3-nitropyridine?
The IUPAC name of 2-chloro-6-methoxy-4-methyl-3-nitropyridine (CID 146235051) is 2-chloro-6-methoxy-4-methyl-3-nitropyridine.
What is the SMILES notation for 2-chloro-6-methoxy-4-methyl-3-nitropyridine?
The canonical SMILES for 2-chloro-6-methoxy-4-methyl-3-nitropyridine is COc1cc(C)c([N+](=O)[O-])c(Cl)n1.
What is the InChIKey of 2-chloro-6-methoxy-4-methyl-3-nitropyridine?
The InChIKey is UGYBWFACWGZRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O3/c1-4-3-5(13-2)9-7(8)6(4)10(11)12/h3H,1-2H3.
What are the key properties of 2-chloro-6-methoxy-4-methyl-3-nitropyridine?
2-chloro-6-methoxy-4-methyl-3-nitropyridine has a molecular weight of 202.60 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-4-methyl-3-nitropyridine is sourced from PubChem (CID 146235051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).