6-chloro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-nitropyridine

C13H15ClN2O3 — CID 43330226

IUPAC6-chloro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-nitropyridine
SMILESCC1CC=CCC1COc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H15ClN2O3/c1-9-4-2-3-5-10(9)8-19-13-11(16(17)18)6-7-12(14)15-13/h2-3,6-7,9-10H,4-5,8H2,1H3
InChIKeyZXGBXRYRXQQPRZ-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.62
Rot. Bonds4

About 6-chloro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-nitropyridine

6-chloro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-nitropyridine (PubChem CID 43330226) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 6-chloro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-nitropyridine.

Molecular Properties

Compound Name6-chloro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-nitropyridine
PubChem CID43330226
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name6-chloro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-nitropyridine
SMILESCC1CC=CCC1COc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H15ClN2O3/c1-9-4-2-3-5-10(9)8-19-13-11(16(17)18)6-7-12(14)15-13/h2-3,6-7,9-10H,4-5,8H2,1H3
InChIKeyZXGBXRYRXQQPRZ-UHFFFAOYSA-N
XLogP3.62
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 43152615
6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine
CID 104561286
5-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-nitrobenzoic acid
CID 43128779
2-but-3-enoxy-6-chloro-3-nitropyridine
CID 43152639
6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine
CID 43330217
6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine
CID 43330207
N-[2-[(6-chloro-3-nitro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505475
6-chloro-2-(1-methylpiperidin-1-ium-4-yl)oxy-3-nitropyridine chloride
CID 110185311
6-chloro-2-(3,4-dimethylpyrrolidin-1-yl)-3-nitropyridine
CID 79180812
[2-[(6-methoxy-3-nitro-2-pyridinyl)oxymethyl]cyclopentyl]methanamine
CID 115323428
6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine
CID 43330212
2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine
CID 82823985

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-nitropyridine?
The IUPAC name of 6-chloro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-nitropyridine (CID 43330226) is 6-chloro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-nitropyridine.
What is the SMILES notation for 6-chloro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-nitropyridine?
The canonical SMILES for 6-chloro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-nitropyridine is CC1CC=CCC1COc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-nitropyridine?
The InChIKey is ZXGBXRYRXQQPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-9-4-2-3-5-10(9)8-19-13-11(16(17)18)6-7-12(14)15-13/h2-3,6-7,9-10H,4-5,8H2,1H3.
What are the key properties of 6-chloro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-nitropyridine?
6-chloro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-nitropyridine has a molecular weight of 282.73 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-nitropyridine is sourced from PubChem (CID 43330226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).