1-(3,5-dibromo-2-pyridinyl)-4-methylpyrrolidin-3-ol

C10H12Br2N2O — CID 131140975

IUPAC1-(3,5-dibromo-2-pyridinyl)-4-methylpyrrolidin-3-ol
SMILESCC1CN(c2ncc(Br)cc2Br)CC1O
InChIInChI=1S/C10H12Br2N2O/c1-6-4-14(5-9(6)15)10-8(12)2-7(11)3-13-10/h2-3,6,9,15H,4-5H2,1H3
InChIKeyYBDGTICFVCKFPX-UHFFFAOYSA-N
MW336.03 g/mol
LogP2.42
Rot. Bonds1

About 1-(3,5-dibromo-2-pyridinyl)-4-methylpyrrolidin-3-ol

1-(3,5-dibromo-2-pyridinyl)-4-methylpyrrolidin-3-ol (PubChem CID 131140975) has the molecular formula C10H12Br2N2O and a molecular weight of 336.03 g/mol. Its IUPAC name is 1-(3,5-dibromo-2-pyridinyl)-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3,5-dibromo-2-pyridinyl)-4-methylpyrrolidin-3-ol
PubChem CID131140975
Molecular FormulaC10H12Br2N2O
Molecular Weight336.03 g/mol
Exact Mass333.93
IUPAC Name1-(3,5-dibromo-2-pyridinyl)-4-methylpyrrolidin-3-ol
SMILESCC1CN(c2ncc(Br)cc2Br)CC1O
InChIInChI=1S/C10H12Br2N2O/c1-6-4-14(5-9(6)15)10-8(12)2-7(11)3-13-10/h2-3,6,9,15H,4-5H2,1H3
InChIKeyYBDGTICFVCKFPX-UHFFFAOYSA-N
XLogP2.42
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.03
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-methyl-2-pyridinyl)-4-methylpyrrolidin-3-ol
CID 131165420
3,5-dibromo-2-(3-bromo-4-methylpiperidin-1-yl)pyridine
CID 102960994
1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol
CID 103896085
4-tert-butyl-1-(3,5-dibromo-2-pyridinyl)azepane
CID 113413840
[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 79718833
3-bromo-2-(3,5-dimethylpiperidin-1-yl)-5-methylpyridine
CID 105367629
6-(3,5-dibromo-2-pyridinyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683333
4-(3-bromo-5-methyl-2-pyridinyl)-1,2,6-trimethylpiperazine
CID 105368114
8-(3,5-dibromo-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 113413775
1-(5-aminopyrimidin-4-yl)-4-methylpyrrolidin-3-ol
CID 127008831
[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

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-2-pyridinyl)-4-methylpyrrolidin-3-ol?
The IUPAC name of 1-(3,5-dibromo-2-pyridinyl)-4-methylpyrrolidin-3-ol (CID 131140975) is 1-(3,5-dibromo-2-pyridinyl)-4-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3,5-dibromo-2-pyridinyl)-4-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(3,5-dibromo-2-pyridinyl)-4-methylpyrrolidin-3-ol is CC1CN(c2ncc(Br)cc2Br)CC1O.
What is the InChIKey of 1-(3,5-dibromo-2-pyridinyl)-4-methylpyrrolidin-3-ol?
The InChIKey is YBDGTICFVCKFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2O/c1-6-4-14(5-9(6)15)10-8(12)2-7(11)3-13-10/h2-3,6,9,15H,4-5H2,1H3.
What are the key properties of 1-(3,5-dibromo-2-pyridinyl)-4-methylpyrrolidin-3-ol?
1-(3,5-dibromo-2-pyridinyl)-4-methylpyrrolidin-3-ol has a molecular weight of 336.03 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-2-pyridinyl)-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 131140975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).