6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine

C15H21ClN2O3 — CID 43330212

IUPAC6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine
SMILESCC1CCC(C(C)C)C(Oc2nc(Cl)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C15H21ClN2O3/c1-9(2)11-5-4-10(3)8-13(11)21-15-12(18(19)20)6-7-14(16)17-15/h6-7,9-11,13H,4-5,8H2,1-3H3
InChIKeyJHFHGJDEXGXURF-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.48
Rot. Bonds4

About 6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine

6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine (PubChem CID 43330212) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine.

Molecular Properties

Compound Name6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine
PubChem CID43330212
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine
SMILESCC1CCC(C(C)C)C(Oc2nc(Cl)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C15H21ClN2O3/c1-9(2)11-5-4-10(3)8-13(11)21-15-12(18(19)20)6-7-14(16)17-15/h6-7,9-11,13H,4-5,8H2,1-3H3
InChIKeyJHFHGJDEXGXURF-UHFFFAOYSA-N
XLogP4.48
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.48
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

[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 3-methyl-4-nitrobenzoate
CID 7065035
4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine
CID 80944444
4-chloro-6-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-propylpyrimidine
CID 80939756
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-methyl-3-nitrobenzoate
CID 11869906
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-nitrobenzoate
CID 7072088
2-chloro-4-(5-methyl-2-propan-2-ylcyclohexyl)oxythieno[2,3-d]pyrimidine
CID 103319755
6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-2,3-diamine
CID 79827219
1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4-nitrobenzene
CID 10661260
2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-3-sulfonyl chloride
CID 115928448
5-amino-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-2-carboxylic acid
CID 114408588
(5-methyl-2-propan-2-ylcyclohexyl) 2-chloro-4-nitrobenzoate
CID 3638839
3-(chloromethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine
CID 63446048

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine?
The IUPAC name of 6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine (CID 43330212) is 6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine.
What is the SMILES notation for 6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine?
The canonical SMILES for 6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine is CC1CCC(C(C)C)C(Oc2nc(Cl)ccc2[N+](=O)[O-])C1.
What is the InChIKey of 6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine?
The InChIKey is JHFHGJDEXGXURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-9(2)11-5-4-10(3)8-13(11)21-15-12(18(19)20)6-7-14(16)17-15/h6-7,9-11,13H,4-5,8H2,1-3H3.
What are the key properties of 6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine?
6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine has a molecular weight of 312.80 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-3-nitropyridine is sourced from PubChem (CID 43330212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).