3-[(6-chloro-3-pyridinyl)methoxy]-6-methyl-2-nitropyridine

C12H10ClN3O3 — CID 31056581

IUPAC3-[(6-chloro-3-pyridinyl)methoxy]-6-methyl-2-nitropyridine
SMILESCc1ccc(OCc2ccc(Cl)nc2)c([N+](=O)[O-])n1
InChIInChI=1S/C12H10ClN3O3/c1-8-2-4-10(12(15-8)16(17)18)19-7-9-3-5-11(13)14-6-9/h2-6H,7H2,1H3
InChIKeyMMMNCONQARCJKI-UHFFFAOYSA-N
MW279.68 g/mol
LogP2.93
Rot. Bonds4

About 3-[(6-chloro-3-pyridinyl)methoxy]-6-methyl-2-nitropyridine

3-[(6-chloro-3-pyridinyl)methoxy]-6-methyl-2-nitropyridine (PubChem CID 31056581) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 3-[(6-chloro-3-pyridinyl)methoxy]-6-methyl-2-nitropyridine.

Molecular Properties

Compound Name3-[(6-chloro-3-pyridinyl)methoxy]-6-methyl-2-nitropyridine
PubChem CID31056581
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name3-[(6-chloro-3-pyridinyl)methoxy]-6-methyl-2-nitropyridine
SMILESCc1ccc(OCc2ccc(Cl)nc2)c([N+](=O)[O-])n1
InChIInChI=1S/C12H10ClN3O3/c1-8-2-4-10(12(15-8)16(17)18)19-7-9-3-5-11(13)14-6-9/h2-6H,7H2,1H3
InChIKeyMMMNCONQARCJKI-UHFFFAOYSA-N
XLogP2.93
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-[(6-chloro-3-pyridinyl)methoxy]-6-methyl-2-nitropyridine?
The IUPAC name of 3-[(6-chloro-3-pyridinyl)methoxy]-6-methyl-2-nitropyridine (CID 31056581) is 3-[(6-chloro-3-pyridinyl)methoxy]-6-methyl-2-nitropyridine.
What is the SMILES notation for 3-[(6-chloro-3-pyridinyl)methoxy]-6-methyl-2-nitropyridine?
The canonical SMILES for 3-[(6-chloro-3-pyridinyl)methoxy]-6-methyl-2-nitropyridine is Cc1ccc(OCc2ccc(Cl)nc2)c([N+](=O)[O-])n1.
What is the InChIKey of 3-[(6-chloro-3-pyridinyl)methoxy]-6-methyl-2-nitropyridine?
The InChIKey is MMMNCONQARCJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c1-8-2-4-10(12(15-8)16(17)18)19-7-9-3-5-11(13)14-6-9/h2-6H,7H2,1H3.
What are the key properties of 3-[(6-chloro-3-pyridinyl)methoxy]-6-methyl-2-nitropyridine?
3-[(6-chloro-3-pyridinyl)methoxy]-6-methyl-2-nitropyridine has a molecular weight of 279.68 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3-pyridinyl)methoxy]-6-methyl-2-nitropyridine is sourced from PubChem (CID 31056581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).