(5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

C10H11BrN2O3 — CID 106669648

IUPAC(5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1cncc(Br)c1)N1CC(O)C(O)C1
InChIInChI=1S/C10H11BrN2O3/c11-7-1-6(2-12-3-7)10(16)13-4-8(14)9(15)5-13/h1-3,8-9,14-15H,4-5H2
InChIKeyIANHVXVFMAQCFQ-UHFFFAOYSA-N
MW287.11 g/mol
LogP0.02
Rot. Bonds1

About (5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

(5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (PubChem CID 106669648) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
PubChem CID106669648
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name(5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1cncc(Br)c1)N1CC(O)C(O)C1
InChIInChI=1S/C10H11BrN2O3/c11-7-1-6(2-12-3-7)10(16)13-4-8(14)9(15)5-13/h1-3,8-9,14-15H,4-5H2
InChIKeyIANHVXVFMAQCFQ-UHFFFAOYSA-N
XLogP0.02
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63873857
(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23907944
(5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62229980
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(5-bromo-3-pyridinyl)methanone;dihydrochloride
CID 120749957
(5-bromo-3-pyridinyl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90586983
(5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422045
[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51152726
(5-bromo-3-pyridinyl)-(4-cyclopentylpiperazin-1-yl)methanone
CID 60735608
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 106839194
(5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64598733
(5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63079740
(5-bromo-3-pyridinyl)-[(3R)-3-tert-butylsulfanylpyrrolidin-1-yl]methanone
CID 97427208

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (CID 106669648) is (5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is O=C(c1cncc(Br)c1)N1CC(O)C(O)C1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The InChIKey is IANHVXVFMAQCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c11-7-1-6(2-12-3-7)10(16)13-4-8(14)9(15)5-13/h1-3,8-9,14-15H,4-5H2.
What are the key properties of (5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
(5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone has a molecular weight of 287.11 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 106669648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).