3-(2-formyl-4-pyridinyl)-2-methylpropanoic acid

C10H11NO3 — CID 84772622

IUPAC3-(2-formyl-4-pyridinyl)-2-methylpropanoic acid
SMILESCC(Cc1ccnc(C=O)c1)C(=O)O
InChIInChI=1S/C10H11NO3/c1-7(10(13)14)4-8-2-3-11-9(5-8)6-12/h2-3,5-7H,4H2,1H3,(H,13,14)
InChIKeyCJFBBZXWRWEZDQ-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.16
Rot. Bonds4

About 3-(2-formyl-4-pyridinyl)-2-methylpropanoic acid

3-(2-formyl-4-pyridinyl)-2-methylpropanoic acid (PubChem CID 84772622) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 3-(2-formyl-4-pyridinyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-formyl-4-pyridinyl)-2-methylpropanoic acid
PubChem CID84772622
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name3-(2-formyl-4-pyridinyl)-2-methylpropanoic acid
SMILESCC(Cc1ccnc(C=O)c1)C(=O)O
InChIInChI=1S/C10H11NO3/c1-7(10(13)14)4-8-2-3-11-9(5-8)6-12/h2-3,5-7H,4H2,1H3,(H,13,14)
InChIKeyCJFBBZXWRWEZDQ-UHFFFAOYSA-N
XLogP1.16
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpropyl)pyridine-2-carbaldehyde
CID 130153005
3-[2-(methoxymethyl)-4-pyridinyl]-2-methylpropanoic acid
CID 83884346
4-propan-2-ylpyridine-2-carbaldehyde
CID 87453766
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
2-methyl-3-[4-(pyrimidin-2-ylamino)phenyl]propanoic acid
CID 82514047
3-(3-ethoxyphenyl)-2-methylpropanoic acid;zinc
CID 175118835
3-(4-chloro-2-pyridinyl)-2-methylpropanoic acid
CID 115009281
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
3-(3-aminophenyl)-2-methylpropanoic acid
CID 66894775
3-[3,4-bis(methylsulfanyl)phenyl]-2-methylpropanoic acid
CID 117394680

Frequently Asked Questions

What is the IUPAC name of 3-(2-formyl-4-pyridinyl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-formyl-4-pyridinyl)-2-methylpropanoic acid (CID 84772622) is 3-(2-formyl-4-pyridinyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-formyl-4-pyridinyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-formyl-4-pyridinyl)-2-methylpropanoic acid is CC(Cc1ccnc(C=O)c1)C(=O)O.
What is the InChIKey of 3-(2-formyl-4-pyridinyl)-2-methylpropanoic acid?
The InChIKey is CJFBBZXWRWEZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(10(13)14)4-8-2-3-11-9(5-8)6-12/h2-3,5-7H,4H2,1H3,(H,13,14).
What are the key properties of 3-(2-formyl-4-pyridinyl)-2-methylpropanoic acid?
3-(2-formyl-4-pyridinyl)-2-methylpropanoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-formyl-4-pyridinyl)-2-methylpropanoic acid is sourced from PubChem (CID 84772622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).