2-(dimethylamino)-5-formylbenzoic acid

C10H11NO3 — CID 55255252

IUPAC2-(dimethylamino)-5-formylbenzoic acid
SMILESCN(C)c1ccc(C=O)cc1C(=O)O
InChIInChI=1S/C10H11NO3/c1-11(2)9-4-3-7(6-12)5-8(9)10(13)14/h3-6H,1-2H3,(H,13,14)
InChIKeyUFGZBUVLSPSDRB-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.26
Rot. Bonds3

About 2-(dimethylamino)-5-formylbenzoic acid

2-(dimethylamino)-5-formylbenzoic acid (PubChem CID 55255252) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-(dimethylamino)-5-formylbenzoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-5-formylbenzoic acid
PubChem CID55255252
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-(dimethylamino)-5-formylbenzoic acid
SMILESCN(C)c1ccc(C=O)cc1C(=O)O
InChIInChI=1S/C10H11NO3/c1-11(2)9-4-3-7(6-12)5-8(9)10(13)14/h3-6H,1-2H3,(H,13,14)
InChIKeyUFGZBUVLSPSDRB-UHFFFAOYSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.26
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-(dimethylamino)-3-hydroxybenzaldehyde
CID 21478067
2-(dimethylamino)-5-iodobenzoic acid
CID 66696571
2,4-diformylbenzoic acid
CID 22491758
2-(dimethylamino)-5-sulfobenzoic acid
CID 23569701
4-(dimethylamino)-3-methoxybenzaldehyde;4-fluoro-3-methoxybenzaldehyde
CID 161410830
2-(dimethylamino)benzoic acid;ethene
CID 157119009
2-(difluoromethyl)-4-formylbenzoic acid
CID 22101435
2-(4-formyl-N,2-dimethylanilino)-N,N-dimethylacetamide
CID 55039909
5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid
CID 59595410
5-formyl-2-hydroxy-3-methylbenzoic acid
CID 158743279
2-(4-formylphenyl)sulfanyl-4,5-dimethylbenzoic acid
CID 169227155
5-formyl-2-(5-formyl-2-hydroxybenzoyl)oxybenzoic acid
CID 91383282

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-formylbenzoic acid?
The IUPAC name of 2-(dimethylamino)-5-formylbenzoic acid (CID 55255252) is 2-(dimethylamino)-5-formylbenzoic acid.
What is the SMILES notation for 2-(dimethylamino)-5-formylbenzoic acid?
The canonical SMILES for 2-(dimethylamino)-5-formylbenzoic acid is CN(C)c1ccc(C=O)cc1C(=O)O.
What is the InChIKey of 2-(dimethylamino)-5-formylbenzoic acid?
The InChIKey is UFGZBUVLSPSDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-11(2)9-4-3-7(6-12)5-8(9)10(13)14/h3-6H,1-2H3,(H,13,14).
What are the key properties of 2-(dimethylamino)-5-formylbenzoic acid?
2-(dimethylamino)-5-formylbenzoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-formylbenzoic acid is sourced from PubChem (CID 55255252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).