(2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid

C8H8BrNO3 — CID 124595657

IUPAC(2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid
SMILESO=C(O)[C@H](O)Cc1cncc(Br)c1
InChIInChI=1S/C8H8BrNO3/c9-6-1-5(3-10-4-6)2-7(11)8(12)13/h1,3-4,7,11H,2H2,(H,12,13)/t7-/m1/s1
InChIKeyHOJNFATVJHFNFN-SSDOTTSWSA-N
MW246.06 g/mol
LogP0.83
Rot. Bonds3

About (2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid

(2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid (PubChem CID 124595657) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is (2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid
PubChem CID124595657
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Name(2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid
SMILESO=C(O)[C@H](O)Cc1cncc(Br)c1
InChIInChI=1S/C8H8BrNO3/c9-6-1-5(3-10-4-6)2-7(11)8(12)13/h1,3-4,7,11H,2H2,(H,12,13)/t7-/m1/s1
InChIKeyHOJNFATVJHFNFN-SSDOTTSWSA-N
XLogP0.83
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propanoic acid
CID 104800586
3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800052
3-(5-bromo-3-pyridinyl)-2-chloropropanamide
CID 130486994
2-[(5-bromo-3-pyridinyl)methylsulfonyl]propanoic acid
CID 104797411
2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol
CID 104813158
4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol
CID 104802664
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
1-(5-bromo-3-pyridinyl)-3-methylsulfonylbutan-2-ol
CID 115833451
3-(5-bromo-3-pyridinyl)-1,1-dimethoxypropan-2-ol
CID 104800369
(2S)-3-(3,5-dibromo-4-hydroxyphenyl)-2-hydroxypropanoic acid
CID 142778160
1-(5-bromo-3-pyridinyl)-3-ethoxy-3-methylbutan-2-ol
CID 116713811
2-[(5-bromo-3-pyridinyl)methylsulfanyl]butanoic acid
CID 105352768

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid?
The IUPAC name of (2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid (CID 124595657) is (2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid.
What is the SMILES notation for (2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid?
The canonical SMILES for (2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid is O=C(O)[C@H](O)Cc1cncc(Br)c1.
What is the InChIKey of (2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid?
The InChIKey is HOJNFATVJHFNFN-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8BrNO3/c9-6-1-5(3-10-4-6)2-7(11)8(12)13/h1,3-4,7,11H,2H2,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid?
(2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid has a molecular weight of 246.06 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid is sourced from PubChem (CID 124595657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).