1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid

C11H13BrN2O3 — CID 69227330

IUPAC1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(O)C1(O)CCN(c2ncccc2Br)CC1
InChIInChI=1S/C11H13BrN2O3/c12-8-2-1-5-13-9(8)14-6-3-11(17,4-7-14)10(15)16/h1-2,5,17H,3-4,6-7H2,(H,15,16)
InChIKeyKJVANFXQPBMQDL-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.26
Rot. Bonds2

About 1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid

1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 69227330) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID69227330
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(O)C1(O)CCN(c2ncccc2Br)CC1
InChIInChI=1S/C11H13BrN2O3/c12-8-2-1-5-13-9(8)14-6-3-11(17,4-7-14)10(15)16/h1-2,5,17H,3-4,6-7H2,(H,15,16)
InChIKeyKJVANFXQPBMQDL-UHFFFAOYSA-N
XLogP1.26
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 55209852
(3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
CID 129483763
3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525
3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine
CID 86810762
8-(3-bromo-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 67246417
6-(3-bromo-2-pyridinyl)-6-azaspiro[3.4]octane
CID 130994092
1-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-hydroxyethanone
CID 167825204
5-(3-bromo-2-pyridinyl)-1,2,5-dithiazepane
CID 131101938
[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methylcarbamic acid
CID 67136498
[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166600752
2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide
CID 127266551
1-(3-bromo-2-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250906

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid (CID 69227330) is 1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid is O=C(O)C1(O)CCN(c2ncccc2Br)CC1.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is KJVANFXQPBMQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c12-8-2-1-5-13-9(8)14-6-3-11(17,4-7-14)10(15)16/h1-2,5,17H,3-4,6-7H2,(H,15,16).
What are the key properties of 1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 301.14 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 69227330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).