4-chloro-3-methoxy-2-nitropyridine

C6H5ClN2O3 — CID 118816887

IUPAC4-chloro-3-methoxy-2-nitropyridine
SMILESCOc1c(Cl)ccnc1[N+](=O)[O-]
InChIInChI=1S/C6H5ClN2O3/c1-12-5-4(7)2-3-8-6(5)9(10)11/h2-3H,1H3
InChIKeyVQNIAPBMUAPWQK-UHFFFAOYSA-N
MW188.57 g/mol
LogP1.65
Rot. Bonds2

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

4-chloro-3-methoxy-2-nitropyridine (PubChem CID 118816887) has the molecular formula C6H5ClN2O3 and a molecular weight of 188.57 g/mol. Its IUPAC name is 4-chloro-3-methoxy-2-nitropyridine.

Molecular Properties

Compound Name4-chloro-3-methoxy-2-nitropyridine
PubChem CID118816887
Molecular FormulaC6H5ClN2O3
Molecular Weight188.57 g/mol
Exact Mass188.00
IUPAC Name4-chloro-3-methoxy-2-nitropyridine
SMILESCOc1c(Cl)ccnc1[N+](=O)[O-]
InChIInChI=1S/C6H5ClN2O3/c1-12-5-4(7)2-3-8-6(5)9(10)11/h2-3H,1H3
InChIKeyVQNIAPBMUAPWQK-UHFFFAOYSA-N
XLogP1.65
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.57
LogP ≤ 51.65
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'}

Analyze 4-chloro-3-methoxy-2-nitropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N,N-dimethyl-2-nitropyridin-4-amine
CID 18551970
3-methoxy-2-nitropyridine
CID 556063
4-chloro-2-nitro-3-phenylpyridine
CID 118850926
3-chloro-2,4-dinitropyridine
CID 174686743
4-chloro-5-methoxy-8-nitroquinoline
CID 19592414
4-chloro-8-methyl-7-nitroquinoline
CID 10242674
4-chloro-6-methyl-8-nitroquinoline
CID 19592802
4,7-dichloro-5,6-dimethoxy-1,10-phenanthroline
CID 12065047
1-chloro-5,6-dimethoxy-8-nitroisoquinoline
CID 82571494
4-chloro-7-nitro-1,6-naphthyridine
CID 133060789
4-bromo-3-(difluoromethoxy)-2-nitropyridine
CID 118845417
4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 24903327

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-2-nitropyridine?
The IUPAC name of 4-chloro-3-methoxy-2-nitropyridine (CID 118816887) is 4-chloro-3-methoxy-2-nitropyridine.
What is the SMILES notation for 4-chloro-3-methoxy-2-nitropyridine?
The canonical SMILES for 4-chloro-3-methoxy-2-nitropyridine is COc1c(Cl)ccnc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-3-methoxy-2-nitropyridine?
The InChIKey is VQNIAPBMUAPWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O3/c1-12-5-4(7)2-3-8-6(5)9(10)11/h2-3H,1H3.
What are the key properties of 4-chloro-3-methoxy-2-nitropyridine?
4-chloro-3-methoxy-2-nitropyridine has a molecular weight of 188.57 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-2-nitropyridine is sourced from PubChem (CID 118816887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).