1-[(5-bromo-3-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol

C14H20BrNO — CID 106663888

IUPAC1-[(5-bromo-3-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol
SMILESCC1CC(C)(C)CC1(O)Cc1cncc(Br)c1
InChIInChI=1S/C14H20BrNO/c1-10-5-13(2,3)9-14(10,17)6-11-4-12(15)8-16-7-11/h4,7-8,10,17H,5-6,9H2,1-3H3
InChIKeyYXMJOVMHHIDHQA-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.57
Rot. Bonds2

About 1-[(5-bromo-3-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol

1-[(5-bromo-3-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol (PubChem CID 106663888) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol
PubChem CID106663888
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-[(5-bromo-3-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol
SMILESCC1CC(C)(C)CC1(O)Cc1cncc(Br)c1
InChIInChI=1S/C14H20BrNO/c1-10-5-13(2,3)9-14(10,17)6-11-4-12(15)8-16-7-11/h4,7-8,10,17H,5-6,9H2,1-3H3
InChIKeyYXMJOVMHHIDHQA-UHFFFAOYSA-N
XLogP3.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106663812
1-[(5-bromo-3-pyridinyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 113454948
1-[(5-bromo-3-pyridinyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873956
1-[(3-bromothiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106663751
2,4,4-trimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol
CID 106663682
1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine
CID 104802690
1-[(5-bromo-3-pyridinyl)methyl]-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 113455002
1-[(5-bromo-3-pyridinyl)methyl]-2-phenylcyclohexan-1-ol
CID 104801472
2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol
CID 104800252
N-[[3-[(5-bromo-3-pyridinyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-2-amine
CID 104810907
1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
CID 130770082
1-[1-[(5-bromo-3-pyridinyl)methyl]cyclopropyl]-N-methylethanamine
CID 106797713

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol (CID 106663888) is 1-[(5-bromo-3-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol is CC1CC(C)(C)CC1(O)Cc1cncc(Br)c1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol?
The InChIKey is YXMJOVMHHIDHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10-5-13(2,3)9-14(10,17)6-11-4-12(15)8-16-7-11/h4,7-8,10,17H,5-6,9H2,1-3H3.
What are the key properties of 1-[(5-bromo-3-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol?
1-[(5-bromo-3-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol has a molecular weight of 298.22 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol is sourced from PubChem (CID 106663888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).