3-(4-formyl-2-pyridinyl)-2,3-dihydroxypropanamide

C9H10N2O4 — CID 171867942

IUPAC3-(4-formyl-2-pyridinyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cc(C=O)ccn1
InChIInChI=1S/C9H10N2O4/c10-9(15)8(14)7(13)6-3-5(4-12)1-2-11-6/h1-4,7-8,13-14H,(H2,10,15)
InChIKeySBCFNRNBPRQFBC-UHFFFAOYSA-N
MW210.19 g/mol
LogP-1.23
Rot. Bonds4

About 3-(4-formyl-2-pyridinyl)-2,3-dihydroxypropanamide

3-(4-formyl-2-pyridinyl)-2,3-dihydroxypropanamide (PubChem CID 171867942) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-(4-formyl-2-pyridinyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(4-formyl-2-pyridinyl)-2,3-dihydroxypropanamide
PubChem CID171867942
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name3-(4-formyl-2-pyridinyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cc(C=O)ccn1
InChIInChI=1S/C9H10N2O4/c10-9(15)8(14)7(13)6-3-5(4-12)1-2-11-6/h1-4,7-8,13-14H,(H2,10,15)
InChIKeySBCFNRNBPRQFBC-UHFFFAOYSA-N
XLogP-1.23
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-4-carboxylate
CID 171868625
2,3-dihydroxy-3-pyridin-2-ylpropanamide
CID 171867575
2-(1-aminopropyl)pyridine-4-carbaldehyde
CID 123521496
3-(4-formyl-2-nitrophenyl)-2,3-dihydroxypropanamide
CID 171868874
3-(4-formyl-2,6-dimethoxyphenyl)-2,3-dihydroxypropanamide
CID 171869052
methyl 3-(4-amino-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171863533
4-formylpyridine-2-carboxylic acid;hydrochloride
CID 146082186
2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid
CID 170823470
methyl 3-(4-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171863547
3-(5-formyl-2-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823749
2-(hydroxymethyl)pyridine-4-carbaldehyde
CID 57336677
3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide
CID 171868515

Frequently Asked Questions

What is the IUPAC name of 3-(4-formyl-2-pyridinyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(4-formyl-2-pyridinyl)-2,3-dihydroxypropanamide (CID 171867942) is 3-(4-formyl-2-pyridinyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(4-formyl-2-pyridinyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(4-formyl-2-pyridinyl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1cc(C=O)ccn1.
What is the InChIKey of 3-(4-formyl-2-pyridinyl)-2,3-dihydroxypropanamide?
The InChIKey is SBCFNRNBPRQFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c10-9(15)8(14)7(13)6-3-5(4-12)1-2-11-6/h1-4,7-8,13-14H,(H2,10,15).
What are the key properties of 3-(4-formyl-2-pyridinyl)-2,3-dihydroxypropanamide?
3-(4-formyl-2-pyridinyl)-2,3-dihydroxypropanamide has a molecular weight of 210.19 g/mol, XLogP of -1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formyl-2-pyridinyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171867942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).