3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid

C9H10ClNO4 — CID 170823685

IUPAC3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
SMILESCc1cc(Cl)ncc1C(O)C(O)C(=O)O
InChIInChI=1S/C9H10ClNO4/c1-4-2-6(10)11-3-5(4)7(12)8(13)9(14)15/h2-3,7-8,12-13H,1H3,(H,14,15)
InChIKeyIDYPFRYNMHTMFB-UHFFFAOYSA-N
MW231.63 g/mol
LogP0.52
Rot. Bonds3

About 3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid

3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid (PubChem CID 170823685) has the molecular formula C9H10ClNO4 and a molecular weight of 231.63 g/mol. Its IUPAC name is 3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
PubChem CID170823685
Molecular FormulaC9H10ClNO4
Molecular Weight231.63 g/mol
Exact Mass231.03
IUPAC Name3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
SMILESCc1cc(Cl)ncc1C(O)C(O)C(=O)O
InChIInChI=1S/C9H10ClNO4/c1-4-2-6(10)11-3-5(4)7(12)8(13)9(14)15/h2-3,7-8,12-13H,1H3,(H,14,15)
InChIKeyIDYPFRYNMHTMFB-UHFFFAOYSA-N
XLogP0.52
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.63
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dichloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823721
3-(2,4-dichloropyrimidin-5-yl)-2,3-dihydroxypropanoic acid
CID 170823653
3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823447
3-(5-chloro-2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170825058
3-(2-chloro-5-methoxycarbonyl-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170824623
tert-butyl N-[4-(6-chloro-4-methyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171884554
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine
CID 55275523
2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid
CID 170823897
2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid
CID 170823469
2-amino-2-(6-chloro-4-methyl-3-pyridinyl)ethanol
CID 55272427
2,3-dihydroxy-3-(4-methylpyrimidin-2-yl)propanoic acid
CID 170823438
2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid
CID 170823470

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid (CID 170823685) is 3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid is Cc1cc(Cl)ncc1C(O)C(O)C(=O)O.
What is the InChIKey of 3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid?
The InChIKey is IDYPFRYNMHTMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4/c1-4-2-6(10)11-3-5(4)7(12)8(13)9(14)15/h2-3,7-8,12-13H,1H3,(H,14,15).
What are the key properties of 3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid?
3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid has a molecular weight of 231.63 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-4-methyl-3-pyridinyl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170823685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).