[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol

C11H15BrN2O — CID 106876337

IUPAC[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol
SMILESCc1ccnc(N2CCCC2CO)c1Br
InChIInChI=1S/C11H15BrN2O/c1-8-4-5-13-11(10(8)12)14-6-2-3-9(14)7-15/h4-5,9,15H,2-3,6-7H2,1H3
InChIKeyKTVIACDUZXXEMC-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.11
Rot. Bonds2

About [1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol

[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol (PubChem CID 106876337) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is [1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol
PubChem CID106876337
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol
SMILESCc1ccnc(N2CCCC2CO)c1Br
InChIInChI=1S/C11H15BrN2O/c1-8-4-5-13-11(10(8)12)14-6-2-3-9(14)7-15/h4-5,9,15H,2-3,6-7H2,1H3
InChIKeyKTVIACDUZXXEMC-UHFFFAOYSA-N
XLogP2.11
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol (CID 106876337) is [1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol is Cc1ccnc(N2CCCC2CO)c1Br.
What is the InChIKey of [1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol?
The InChIKey is KTVIACDUZXXEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8-4-5-13-11(10(8)12)14-6-2-3-9(14)7-15/h4-5,9,15H,2-3,6-7H2,1H3.
What are the key properties of [1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol?
[1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol has a molecular weight of 271.16 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 106876337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).