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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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).