2,6-dichloro-3-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine

C14H19Cl2NO — CID 106994606

IUPAC2,6-dichloro-3-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine
SMILESCC1CCC(OCc2ccc(Cl)nc2Cl)CC1C
InChIInChI=1S/C14H19Cl2NO/c1-9-3-5-12(7-10(9)2)18-8-11-4-6-13(15)17-14(11)16/h4,6,9-10,12H,3,5,7-8H2,1-2H3
InChIKeyIAUXWIPCFRUNQX-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.73
Rot. Bonds3

About 2,6-dichloro-3-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine

2,6-dichloro-3-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine (PubChem CID 106994606) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 2,6-dichloro-3-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine
PubChem CID106994606
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name2,6-dichloro-3-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine
SMILESCC1CCC(OCc2ccc(Cl)nc2Cl)CC1C
InChIInChI=1S/C14H19Cl2NO/c1-9-3-5-12(7-10(9)2)18-8-11-4-6-13(15)17-14(11)16/h4,6,9-10,12H,3,5,7-8H2,1-2H3
InChIKeyIAUXWIPCFRUNQX-UHFFFAOYSA-N
XLogP4.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.73
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

2,6-dichloro-3-[(3-methoxycyclohexyl)oxymethyl]pyridine
CID 106994599
2-chloro-6-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine
CID 79242882
4-chloro-2-[(3,4-dimethylcyclohexyl)oxymethyl]-6-methylpyrimidine
CID 80664034
3-[(3,4-dimethylcyclohexyl)oxymethyl]quinolin-2-amine
CID 64744814
5-bromo-2-[(3,4-dimethylcyclohexyl)oxymethyl]aniline
CID 114380858
2,6-dichloro-3-(octoxymethyl)pyridine
CID 106994491
3,6-dichloro-2-[(4-methylcyclohexyl)oxymethyl]pyridine
CID 62885094
4-[(3,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarbothioamide
CID 114482283
1-[3-bromo-4-[(3,4-dimethylcyclohexyl)oxymethyl]phenyl]-N-methylmethanamine
CID 102773703
2-[(3,4-dimethylcyclohexyl)oxymethyl]-5-fluorobenzenecarbothioamide
CID 64744378
3-[2-[(3,4-dimethylcyclohexyl)oxymethyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 64745980
2,6-dichloro-3-(1-ethoxypropan-2-yloxymethyl)pyridine
CID 106994675

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine?
The IUPAC name of 2,6-dichloro-3-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine (CID 106994606) is 2,6-dichloro-3-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine.
What is the SMILES notation for 2,6-dichloro-3-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine?
The canonical SMILES for 2,6-dichloro-3-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine is CC1CCC(OCc2ccc(Cl)nc2Cl)CC1C.
What is the InChIKey of 2,6-dichloro-3-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine?
The InChIKey is IAUXWIPCFRUNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-9-3-5-12(7-10(9)2)18-8-11-4-6-13(15)17-14(11)16/h4,6,9-10,12H,3,5,7-8H2,1-2H3.
What are the key properties of 2,6-dichloro-3-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine?
2,6-dichloro-3-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine has a molecular weight of 288.22 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[(3,4-dimethylcyclohexyl)oxymethyl]pyridine is sourced from PubChem (CID 106994606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).