3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol

C12H16BrNO — CID 116539892

IUPAC3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol
SMILESCC1(Cc2ccc(Br)cn2)CCC(O)C1
InChIInChI=1S/C12H16BrNO/c1-12(5-4-11(15)7-12)6-10-3-2-9(13)8-14-10/h2-3,8,11,15H,4-7H2,1H3
InChIKeyKMSMANBNJMXCGS-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.94
Rot. Bonds2

About 3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol

3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol (PubChem CID 116539892) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol
PubChem CID116539892
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol
SMILESCC1(Cc2ccc(Br)cn2)CCC(O)C1
InChIInChI=1S/C12H16BrNO/c1-12(5-4-11(15)7-12)6-10-3-2-9(13)8-14-10/h2-3,8,11,15H,4-7H2,1H3
InChIKeyKMSMANBNJMXCGS-UHFFFAOYSA-N
XLogP2.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
CID 116539610
1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
CID 104801440
3-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 116540101
1-[(5-bromo-2-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106663812
4-[(5-bromo-2-pyridinyl)methyl]-2-methyloxan-4-ol
CID 104802016
1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 104813045
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-ol
CID 116539988
1-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 104802982
1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine
CID 104802724
3-[[(5-bromo-2-pyridinyl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol
CID 53344799
1-[(5-bromo-2-pyridinyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104802926
1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735817

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol?
The IUPAC name of 3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol (CID 116539892) is 3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol.
What is the SMILES notation for 3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol?
The canonical SMILES for 3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol is CC1(Cc2ccc(Br)cn2)CCC(O)C1.
What is the InChIKey of 3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol?
The InChIKey is KMSMANBNJMXCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-12(5-4-11(15)7-12)6-10-3-2-9(13)8-14-10/h2-3,8,11,15H,4-7H2,1H3.
What are the key properties of 3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol?
3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol has a molecular weight of 270.17 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol is sourced from PubChem (CID 116539892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).