2-[(3-bromocycloheptyl)methyl]-4-methoxy-3,5-dimethylpyridine

C16H24BrNO — CID 64507176

IUPAC2-[(3-bromocycloheptyl)methyl]-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CC2CCCCC(Br)C2)c1C
InChIInChI=1S/C16H24BrNO/c1-11-10-18-15(12(2)16(11)19-3)9-13-6-4-5-7-14(17)8-13/h10,13-14H,4-9H2,1-3H3
InChIKeyPDZLZVPXQNHXCU-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.59
Rot. Bonds3

About 2-[(3-bromocycloheptyl)methyl]-4-methoxy-3,5-dimethylpyridine

2-[(3-bromocycloheptyl)methyl]-4-methoxy-3,5-dimethylpyridine (PubChem CID 64507176) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-[(3-bromocycloheptyl)methyl]-4-methoxy-3,5-dimethylpyridine.

Molecular Properties

Compound Name2-[(3-bromocycloheptyl)methyl]-4-methoxy-3,5-dimethylpyridine
PubChem CID64507176
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-[(3-bromocycloheptyl)methyl]-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CC2CCCCC(Br)C2)c1C
InChIInChI=1S/C16H24BrNO/c1-11-10-18-15(12(2)16(11)19-3)9-13-6-4-5-7-14(17)8-13/h10,13-14H,4-9H2,1-3H3
InChIKeyPDZLZVPXQNHXCU-UHFFFAOYSA-N
XLogP4.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 83261268
2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine
CID 79452625
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-ol
CID 55125071
2-[3-bromo-2-(bromomethyl)-2-cyclopentylpropyl]-4-methoxy-3,5-dimethylpyridine
CID 115927255
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-ol
CID 64910537
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-one
CID 64906550
N-[[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81026993
N-(2-bromoethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentanamine
CID 80672726
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropan-2-one
CID 116564272
4-methoxy-3,5-dimethyl-2-(2-piperidin-3-ylethoxymethyl)pyridine
CID 62357177
1-(3-ethylcyclohexyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 65401934
2-[(3-cyclopentylazetidin-3-yl)methyl]-4-methoxy-3,5-dimethylpyridine
CID 115927285

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromocycloheptyl)methyl]-4-methoxy-3,5-dimethylpyridine?
The IUPAC name of 2-[(3-bromocycloheptyl)methyl]-4-methoxy-3,5-dimethylpyridine (CID 64507176) is 2-[(3-bromocycloheptyl)methyl]-4-methoxy-3,5-dimethylpyridine.
What is the SMILES notation for 2-[(3-bromocycloheptyl)methyl]-4-methoxy-3,5-dimethylpyridine?
The canonical SMILES for 2-[(3-bromocycloheptyl)methyl]-4-methoxy-3,5-dimethylpyridine is COc1c(C)cnc(CC2CCCCC(Br)C2)c1C.
What is the InChIKey of 2-[(3-bromocycloheptyl)methyl]-4-methoxy-3,5-dimethylpyridine?
The InChIKey is PDZLZVPXQNHXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-11-10-18-15(12(2)16(11)19-3)9-13-6-4-5-7-14(17)8-13/h10,13-14H,4-9H2,1-3H3.
What are the key properties of 2-[(3-bromocycloheptyl)methyl]-4-methoxy-3,5-dimethylpyridine?
2-[(3-bromocycloheptyl)methyl]-4-methoxy-3,5-dimethylpyridine has a molecular weight of 326.28 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromocycloheptyl)methyl]-4-methoxy-3,5-dimethylpyridine is sourced from PubChem (CID 64507176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).