2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine

C16H24ClNO — CID 55195389

IUPAC2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine
SMILESCC1CCC(C(C)C)C(OCc2ccnc(Cl)c2)C1
InChIInChI=1S/C16H24ClNO/c1-11(2)14-5-4-12(3)8-15(14)19-10-13-6-7-18-16(17)9-13/h6-7,9,11-12,14-15H,4-5,8,10H2,1-3H3
InChIKeyIJITYDVZYOSROO-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.71
Rot. Bonds4

About 2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine

2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine (PubChem CID 55195389) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine
PubChem CID55195389
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine
SMILESCC1CCC(C(C)C)C(OCc2ccnc(Cl)c2)C1
InChIInChI=1S/C16H24ClNO/c1-11(2)14-5-4-12(3)8-15(14)19-10-13-6-7-18-16(17)9-13/h6-7,9,11-12,14-15H,4-5,8,10H2,1-3H3
InChIKeyIJITYDVZYOSROO-UHFFFAOYSA-N
XLogP4.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.71
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

2-bromo-1-fluoro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzene
CID 63458044
2-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 105349458
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzoic acid
CID 43099520
[3-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 102663486
[5-chloro-6-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-2-pyridinyl]hydrazine
CID 63483505
1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4-nitrobenzene
CID 10661260
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid
CID 63072753
[4-fluoro-3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 43104736
[3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 114479302
[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 43101222
1-(2-chlorophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone
CID 43798255

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine?
The IUPAC name of 2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine (CID 55195389) is 2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine.
What is the SMILES notation for 2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine?
The canonical SMILES for 2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine is CC1CCC(C(C)C)C(OCc2ccnc(Cl)c2)C1.
What is the InChIKey of 2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine?
The InChIKey is IJITYDVZYOSROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-11(2)14-5-4-12(3)8-15(14)19-10-13-6-7-18-16(17)9-13/h6-7,9,11-12,14-15H,4-5,8,10H2,1-3H3.
What are the key properties of 2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine?
2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine has a molecular weight of 281.83 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine is sourced from PubChem (CID 55195389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).