2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid

C9H11NO4 — CID 170823469

IUPAC2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid
SMILESCc1ncccc1C(O)C(O)C(=O)O
InChIInChI=1S/C9H11NO4/c1-5-6(3-2-4-10-5)7(11)8(12)9(13)14/h2-4,7-8,11-12H,1H3,(H,13,14)
InChIKeyCWRNQMLPPGWFHK-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.13
Rot. Bonds3

About 2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid

2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid (PubChem CID 170823469) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid
PubChem CID170823469
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid
SMILESCc1ncccc1C(O)C(O)C(=O)O
InChIInChI=1S/C9H11NO4/c1-5-6(3-2-4-10-5)7(11)8(12)9(13)14/h2-4,7-8,11-12H,1H3,(H,13,14)
InChIKeyCWRNQMLPPGWFHK-UHFFFAOYSA-N
XLogP-0.13
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid
CID 170823762
2-[hydroxy-(2-methyl-3-pyridinyl)methyl]prop-2-enoic acid
CID 118072042
ethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate
CID 125458214
(1R)-2-amino-1-(2-methyl-3-pyridinyl)ethanol
CID 96635768
ethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol
CID 144739559
methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate
CID 57017613
3-methyl-1-(2-methyl-3-pyridinyl)butan-1-ol
CID 105076232
3-(3-chloro-2-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823452
2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid
CID 170824061
2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid
CID 170824081
2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)propan-1-ol
CID 54314992
2-chloro-2-(2,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol
CID 54003137

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid?
The IUPAC name of 2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid (CID 170823469) is 2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid is Cc1ncccc1C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid?
The InChIKey is CWRNQMLPPGWFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-5-6(3-2-4-10-5)7(11)8(12)9(13)14/h2-4,7-8,11-12H,1H3,(H,13,14).
What are the key properties of 2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid?
2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid has a molecular weight of 197.19 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 170823469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).