2-chloro-4-methoxy-3-nitropyridine

C6H5ClN2O3 — CID 3778232

IUPAC2-chloro-4-methoxy-3-nitropyridine
SMILESCOc1ccnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C6H5ClN2O3/c1-12-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3
InChIKeySVXPNTNLKOJPTK-UHFFFAOYSA-N
MW188.57 g/mol
LogP1.65
Rot. Bonds2

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

2-chloro-4-methoxy-3-nitropyridine (PubChem CID 3778232) has the molecular formula C6H5ClN2O3 and a molecular weight of 188.57 g/mol. Its IUPAC name is 2-chloro-4-methoxy-3-nitropyridine.

Molecular Properties

Compound Name2-chloro-4-methoxy-3-nitropyridine
PubChem CID3778232
Molecular FormulaC6H5ClN2O3
Molecular Weight188.57 g/mol
Exact Mass188.00
IUPAC Name2-chloro-4-methoxy-3-nitropyridine
SMILESCOc1ccnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C6H5ClN2O3/c1-12-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3
InChIKeySVXPNTNLKOJPTK-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': '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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-3-nitropyridine?
The IUPAC name of 2-chloro-4-methoxy-3-nitropyridine (CID 3778232) is 2-chloro-4-methoxy-3-nitropyridine.
What is the SMILES notation for 2-chloro-4-methoxy-3-nitropyridine?
The canonical SMILES for 2-chloro-4-methoxy-3-nitropyridine is COc1ccnc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-4-methoxy-3-nitropyridine?
The InChIKey is SVXPNTNLKOJPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O3/c1-12-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3.
What are the key properties of 2-chloro-4-methoxy-3-nitropyridine?
2-chloro-4-methoxy-3-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 2-chloro-4-methoxy-3-nitropyridine is sourced from PubChem (CID 3778232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).