(2R)-2-(2-chloro-3-pyridinyl)-2-hydroxypropanoic acid

C8H8ClNO3 — CID 129408361

IUPAC(2R)-2-(2-chloro-3-pyridinyl)-2-hydroxypropanoic acid
SMILESC[C@](O)(C(=O)O)c1cccnc1Cl
InChIInChI=1S/C8H8ClNO3/c1-8(13,7(11)12)5-3-2-4-10-6(5)9/h2-4,13H,1H3,(H,11,12)/t8-/m1/s1
InChIKeyKLRSYIUPOYYOAS-MRVPVSSYSA-N
MW201.61 g/mol
LogP1.03
Rot. Bonds2

About (2R)-2-(2-chloro-3-pyridinyl)-2-hydroxypropanoic acid

(2R)-2-(2-chloro-3-pyridinyl)-2-hydroxypropanoic acid (PubChem CID 129408361) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is (2R)-2-(2-chloro-3-pyridinyl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-chloro-3-pyridinyl)-2-hydroxypropanoic acid
PubChem CID129408361
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name(2R)-2-(2-chloro-3-pyridinyl)-2-hydroxypropanoic acid
SMILESC[C@](O)(C(=O)O)c1cccnc1Cl
InChIInChI=1S/C8H8ClNO3/c1-8(13,7(11)12)5-3-2-4-10-6(5)9/h2-4,13H,1H3,(H,11,12)/t8-/m1/s1
InChIKeyKLRSYIUPOYYOAS-MRVPVSSYSA-N
XLogP1.03
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
CID 130039616
(2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid
CID 55255014
2,2-bis(2-amino-3-pyridinyl)propanoic acid
CID 169221732
2-[(2-chloro-3-pyridinyl)-sulfoamino]-2-methylpropanoic acid
CID 174719438
4-[(2-chloro-3-pyridinyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302439
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052
2-[(2-chloro-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62817489
2-chloropyridine-3-carbonyl chloride;ethane
CID 91362446
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79389751
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
2-chloropyridin-3-ol;ethane
CID 144796414
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-3-pyridinyl)-2-hydroxypropanoic acid?
The IUPAC name of (2R)-2-(2-chloro-3-pyridinyl)-2-hydroxypropanoic acid (CID 129408361) is (2R)-2-(2-chloro-3-pyridinyl)-2-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-(2-chloro-3-pyridinyl)-2-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-(2-chloro-3-pyridinyl)-2-hydroxypropanoic acid is C[C@](O)(C(=O)O)c1cccnc1Cl.
What is the InChIKey of (2R)-2-(2-chloro-3-pyridinyl)-2-hydroxypropanoic acid?
The InChIKey is KLRSYIUPOYYOAS-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-8(13,7(11)12)5-3-2-4-10-6(5)9/h2-4,13H,1H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-(2-chloro-3-pyridinyl)-2-hydroxypropanoic acid?
(2R)-2-(2-chloro-3-pyridinyl)-2-hydroxypropanoic acid has a molecular weight of 201.61 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-3-pyridinyl)-2-hydroxypropanoic acid is sourced from PubChem (CID 129408361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).