1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol

C11H15BrN2O — CID 131165420

IUPAC1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol
SMILESCc1cnc(N2CC(C)C(O)C2)c(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-7-3-9(12)11(13-4-7)14-5-8(2)10(15)6-14/h3-4,8,10,15H,5-6H2,1-2H3
InChIKeyZJIZKRDNMNTATA-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.97
Rot. Bonds1

About 1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol

1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol (PubChem CID 131165420) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol
PubChem CID131165420
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol
SMILESCc1cnc(N2CC(C)C(O)C2)c(Br)c1
InChIInChI=1S/C11H15BrN2O/c1-7-3-9(12)11(13-4-7)14-5-8(2)10(15)6-14/h3-4,8,10,15H,5-6H2,1-2H3
InChIKeyZJIZKRDNMNTATA-UHFFFAOYSA-N
XLogP1.97
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dibromo-2-pyridinyl)-4-methylpyrrolidin-3-ol
CID 131140975
3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine
CID 105367629
4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine
CID 105368114
[1-(3-bromo-5-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 105367527
4-(3-bromo-5-methyl-2-pyridinyl)-2,6-dimethylthiomorpholine
CID 105367957
(3R)-1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpiperazine
CID 96944499
3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine
CID 105368742
2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine
CID 102937171
4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane
CID 105367904
[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol
CID 105367532
1-(3-bromo-5-methyl-2-pyridinyl)-4-cyclopropylpiperazine
CID 105367783
1-(3-amino-5-methyl-2-pyridinyl)-3-methylpiperidin-4-ol
CID 114677696

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol?
The IUPAC name of 1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol (CID 131165420) is 1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol is Cc1cnc(N2CC(C)C(O)C2)c(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol?
The InChIKey is ZJIZKRDNMNTATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-7-3-9(12)11(13-4-7)14-5-8(2)10(15)6-14/h3-4,8,10,15H,5-6H2,1-2H3.
What are the key properties of 1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol?
1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol has a molecular weight of 271.16 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 131165420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).