(3S)-1-(5-bromo-4-methoxy-2-pyridinyl)pyrrolidin-3-ol

C10H13BrN2O2 — CID 168941013

IUPAC(3S)-1-(5-bromo-4-methoxy-2-pyridinyl)pyrrolidin-3-ol
SMILESCOc1cc(N2CC[C@H](O)C2)ncc1Br
InChIInChI=1S/C10H13BrN2O2/c1-15-9-4-10(12-5-8(9)11)13-3-2-7(14)6-13/h4-5,7,14H,2-3,6H2,1H3/t7-/m0/s1
InChIKeySHNCDEVNYGGNKC-ZETCQYMHSA-N
MW273.13 g/mol
LogP1.42
Rot. Bonds2

About (3S)-1-(5-bromo-4-methoxy-2-pyridinyl)pyrrolidin-3-ol

(3S)-1-(5-bromo-4-methoxy-2-pyridinyl)pyrrolidin-3-ol (PubChem CID 168941013) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is (3S)-1-(5-bromo-4-methoxy-2-pyridinyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(5-bromo-4-methoxy-2-pyridinyl)pyrrolidin-3-ol
PubChem CID168941013
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name(3S)-1-(5-bromo-4-methoxy-2-pyridinyl)pyrrolidin-3-ol
SMILESCOc1cc(N2CC[C@H](O)C2)ncc1Br
InChIInChI=1S/C10H13BrN2O2/c1-15-9-4-10(12-5-8(9)11)13-3-2-7(14)6-13/h4-5,7,14H,2-3,6H2,1H3/t7-/m0/s1
InChIKeySHNCDEVNYGGNKC-ZETCQYMHSA-N
XLogP1.42
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 62917147
(3R)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 129416138
(3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 129416146
1-[6-(ethoxymethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 126848388
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 114919590
(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
CID 167833801
(3R)-1-(5,6-dimethylpyrazin-2-yl)pyrrolidin-3-ol
CID 104929635
1-(6-methanimidoylpyrimidin-4-yl)pyrrolidin-3-ol
CID 123698785
(3R)-1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95122048
1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50953364
(3S)-1-(6-bromo-3-pyridinyl)pyrrolidin-3-ol
CID 95731179

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-bromo-4-methoxy-2-pyridinyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(5-bromo-4-methoxy-2-pyridinyl)pyrrolidin-3-ol (CID 168941013) is (3S)-1-(5-bromo-4-methoxy-2-pyridinyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(5-bromo-4-methoxy-2-pyridinyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(5-bromo-4-methoxy-2-pyridinyl)pyrrolidin-3-ol is COc1cc(N2CC[C@H](O)C2)ncc1Br.
What is the InChIKey of (3S)-1-(5-bromo-4-methoxy-2-pyridinyl)pyrrolidin-3-ol?
The InChIKey is SHNCDEVNYGGNKC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-15-9-4-10(12-5-8(9)11)13-3-2-7(14)6-13/h4-5,7,14H,2-3,6H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-1-(5-bromo-4-methoxy-2-pyridinyl)pyrrolidin-3-ol?
(3S)-1-(5-bromo-4-methoxy-2-pyridinyl)pyrrolidin-3-ol has a molecular weight of 273.13 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-bromo-4-methoxy-2-pyridinyl)pyrrolidin-3-ol is sourced from PubChem (CID 168941013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).