4-(4-formyl-2-pyridinyl)but-3-enoic acid

C10H9NO3 — CID 170483335

IUPAC4-(4-formyl-2-pyridinyl)but-3-enoic acid
SMILESO=Cc1ccnc(C=CCC(=O)O)c1
InChIInChI=1S/C10H9NO3/c12-7-8-4-5-11-9(6-8)2-1-3-10(13)14/h1-2,4-7H,3H2,(H,13,14)
InChIKeyOBZLIEGNHTVLTN-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.38
Rot. Bonds4

About 4-(4-formyl-2-pyridinyl)but-3-enoic acid

4-(4-formyl-2-pyridinyl)but-3-enoic acid (PubChem CID 170483335) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-(4-formyl-2-pyridinyl)but-3-enoic acid.

Molecular Properties

Compound Name4-(4-formyl-2-pyridinyl)but-3-enoic acid
PubChem CID170483335
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name4-(4-formyl-2-pyridinyl)but-3-enoic acid
SMILESO=Cc1ccnc(C=CCC(=O)O)c1
InChIInChI=1S/C10H9NO3/c12-7-8-4-5-11-9(6-8)2-1-3-10(13)14/h1-2,4-7H,3H2,(H,13,14)
InChIKeyOBZLIEGNHTVLTN-UHFFFAOYSA-N
XLogP1.38
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.38
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-(4-formyl-2-pyridinyl)but-3-enenitrile
CID 170799437
4-[2-(trifluoromethyl)-4-pyridinyl]but-3-enoic acid
CID 170483926
4-formylpyridine-2-carboxylic acid;hydrochloride
CID 146082186
4-(1,3-benzothiazol-5-yl)but-3-enoic acid
CID 170483700
4-(5-chloro-2-pyridinyl)but-3-enoic acid
CID 170483056
2-(hydroxymethyl)pyridine-4-carbaldehyde
CID 57336677
2-(3-carboxyprop-1-enyl)-3-fluoropyridine-4-carboxylic acid
CID 170483944
3-[2-[4-(2-carboxyethenyl)-2-pyridinyl]-4-pyridinyl]prop-2-enoic acid
CID 66811759
4-pyridin-3-ylbut-3-enoic acid
CID 439
(E)-pent-2-enedioic acid;4-[(E)-2-pyridin-4-ylethenyl]pyridine
CID 139145943
4-(4-nitro-2-pyridinyl)but-3-enamide
CID 170797871
(E)-4-(3,4-diethoxyphenyl)but-3-enoic acid
CID 102534267

Frequently Asked Questions

What is the IUPAC name of 4-(4-formyl-2-pyridinyl)but-3-enoic acid?
The IUPAC name of 4-(4-formyl-2-pyridinyl)but-3-enoic acid (CID 170483335) is 4-(4-formyl-2-pyridinyl)but-3-enoic acid.
What is the SMILES notation for 4-(4-formyl-2-pyridinyl)but-3-enoic acid?
The canonical SMILES for 4-(4-formyl-2-pyridinyl)but-3-enoic acid is O=Cc1ccnc(C=CCC(=O)O)c1.
What is the InChIKey of 4-(4-formyl-2-pyridinyl)but-3-enoic acid?
The InChIKey is OBZLIEGNHTVLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-7-8-4-5-11-9(6-8)2-1-3-10(13)14/h1-2,4-7H,3H2,(H,13,14).
What are the key properties of 4-(4-formyl-2-pyridinyl)but-3-enoic acid?
4-(4-formyl-2-pyridinyl)but-3-enoic acid has a molecular weight of 191.19 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formyl-2-pyridinyl)but-3-enoic acid is sourced from PubChem (CID 170483335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).