2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene

C20H28ClNO — CID 161342244

IUPAC2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(Cl)nc1.COc1ccc(CC(C)C)cc1
InChIInChI=1S/C11H16O.C9H12ClN/c1-9(2)8-10-4-6-11(12-3)7-5-10;1-7(2)5-8-3-4-9(10)11-6-8/h4-7,9H,8H2,1-3H3;3-4,6-7H,5H2,1-2H3
InChIKeyVMVAWFXVEOUVKN-UHFFFAOYSA-N
MW333.90 g/mol
LogP5.83
Rot. Bonds5

About 2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene

2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene (PubChem CID 161342244) has the molecular formula C20H28ClNO and a molecular weight of 333.90 g/mol. Its IUPAC name is 2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene
PubChem CID161342244
Molecular FormulaC20H28ClNO
Molecular Weight333.90 g/mol
Exact Mass333.19
IUPAC Name2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(Cl)nc1.COc1ccc(CC(C)C)cc1
InChIInChI=1S/C11H16O.C9H12ClN/c1-9(2)8-10-4-6-11(12-3)7-5-10;1-7(2)5-8-3-4-9(10)11-6-8/h4-7,9H,8H2,1-3H3;3-4,6-7H,5H2,1-2H3
InChIKeyVMVAWFXVEOUVKN-UHFFFAOYSA-N
XLogP5.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.90
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[chloro-(4-methoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431171
1-(2-chloro-4-methylpentyl)-4-methoxybenzene
CID 63017578
2-chloro-5-[(2S)-2-methylbutyl]pyridine
CID 56840075
dimethyl 2-[(6-chloro-3-pyridinyl)methyl]propanedioate
CID 103972363
2-chloro-5-(methoxymethyl)pyridine
CID 19010921
1-(6-chloro-3-pyridinyl)-3-[1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]urea
CID 135238768
2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine
CID 139512366
1-(4-methoxyphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480574
4-chloro-1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenyl)butan-2-amine
CID 87802772
6-chloro-N-(2-deuteriopropan-2-yl)-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 87129670
1-(4-methoxyphenyl)propane-2-thiol
CID 63272833
1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene?
The IUPAC name of 2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene (CID 161342244) is 2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene.
What is the SMILES notation for 2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene?
The canonical SMILES for 2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene is CC(C)Cc1ccc(Cl)nc1.COc1ccc(CC(C)C)cc1.
What is the InChIKey of 2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene?
The InChIKey is VMVAWFXVEOUVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C9H12ClN/c1-9(2)8-10-4-6-11(12-3)7-5-10;1-7(2)5-8-3-4-9(10)11-6-8/h4-7,9H,8H2,1-3H3;3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene?
2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene has a molecular weight of 333.90 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene is sourced from PubChem (CID 161342244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).