3-cyano-2-formyl-5-methoxybenzamide

C10H8N2O3 — CID 171013166

IUPAC3-cyano-2-formyl-5-methoxybenzamide
SMILESCOc1cc(C#N)c(C=O)c(C(N)=O)c1
InChIInChI=1S/C10H8N2O3/c1-15-7-2-6(4-11)9(5-13)8(3-7)10(12)14/h2-3,5H,1H3,(H2,12,14)
InChIKeyPCGOFEVJQZLMSB-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.48
Rot. Bonds3

About 3-cyano-2-formyl-5-methoxybenzamide

3-cyano-2-formyl-5-methoxybenzamide (PubChem CID 171013166) has the molecular formula C10H8N2O3 and a molecular weight of 204.18 g/mol. Its IUPAC name is 3-cyano-2-formyl-5-methoxybenzamide.

Molecular Properties

Compound Name3-cyano-2-formyl-5-methoxybenzamide
PubChem CID171013166
Molecular FormulaC10H8N2O3
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC Name3-cyano-2-formyl-5-methoxybenzamide
SMILESCOc1cc(C#N)c(C=O)c(C(N)=O)c1
InChIInChI=1S/C10H8N2O3/c1-15-7-2-6(4-11)9(5-13)8(3-7)10(12)14/h2-3,5H,1H3,(H2,12,14)
InChIKeyPCGOFEVJQZLMSB-UHFFFAOYSA-N
XLogP0.48
TPSA93.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-cyano-2-formyl-5-methoxybenzoate
CID 134643556
3-(2-chloroacetyl)-2-formyl-5-methoxybenzonitrile
CID 171016296
3-cyano-2-formyl-6-methoxybenzamide
CID 171013227
2-cyano-5-formyl-4-methoxybenzamide
CID 171012907
3-cyano-2-formyl-4-methoxybenzamide
CID 171013101
4-cyano-5-methoxy-2-methylbenzamide
CID 171031371
methyl 3-cyano-5-fluoro-2-formylbenzoate
CID 131475033
3-cyano-2-iodo-5-methoxybenzoyl chloride
CID 171025594
5-acetyl-2-formyl-3-methoxybenzonitrile
CID 171013495
2-cyano-5-methoxy-3-(trifluoromethyl)benzamide
CID 171031275
ethyl 5-bromo-3-cyano-2-formylbenzoate
CID 121227749
methyl 3-cyano-2-formyl-5-(trifluoromethyl)benzoate
CID 134647393

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-formyl-5-methoxybenzamide?
The IUPAC name of 3-cyano-2-formyl-5-methoxybenzamide (CID 171013166) is 3-cyano-2-formyl-5-methoxybenzamide.
What is the SMILES notation for 3-cyano-2-formyl-5-methoxybenzamide?
The canonical SMILES for 3-cyano-2-formyl-5-methoxybenzamide is COc1cc(C#N)c(C=O)c(C(N)=O)c1.
What is the InChIKey of 3-cyano-2-formyl-5-methoxybenzamide?
The InChIKey is PCGOFEVJQZLMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-15-7-2-6(4-11)9(5-13)8(3-7)10(12)14/h2-3,5H,1H3,(H2,12,14).
What are the key properties of 3-cyano-2-formyl-5-methoxybenzamide?
3-cyano-2-formyl-5-methoxybenzamide has a molecular weight of 204.18 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-formyl-5-methoxybenzamide is sourced from PubChem (CID 171013166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).