2-cyano-5-formyl-4-methoxybenzamide

C10H8N2O3 — CID 171012907

IUPAC2-cyano-5-formyl-4-methoxybenzamide
SMILESCOc1cc(C#N)c(C(N)=O)cc1C=O
InChIInChI=1S/C10H8N2O3/c1-15-9-3-6(4-11)8(10(12)14)2-7(9)5-13/h2-3,5H,1H3,(H2,12,14)
InChIKeyDJTCHYNOMVITQQ-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.48
Rot. Bonds3

About 2-cyano-5-formyl-4-methoxybenzamide

2-cyano-5-formyl-4-methoxybenzamide (PubChem CID 171012907) has the molecular formula C10H8N2O3 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-cyano-5-formyl-4-methoxybenzamide.

Molecular Properties

Compound Name2-cyano-5-formyl-4-methoxybenzamide
PubChem CID171012907
Molecular FormulaC10H8N2O3
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC Name2-cyano-5-formyl-4-methoxybenzamide
SMILESCOc1cc(C#N)c(C(N)=O)cc1C=O
InChIInChI=1S/C10H8N2O3/c1-15-9-3-6(4-11)8(10(12)14)2-7(9)5-13/h2-3,5H,1H3,(H2,12,14)
InChIKeyDJTCHYNOMVITQQ-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

5-formyl-2-iodo-4-methoxybenzamide
CID 171015652
2-amino-4-formyl-5-methoxybenzamide
CID 58768479
4-cyano-5-methoxy-2-methylbenzamide
CID 171031371
4-cyano-2-formyl-6-methoxybenzamide
CID 171012711
3-cyano-2-formyl-5-methoxybenzamide
CID 171013166
3-formyl-4-methoxybenzamide
CID 23141386
ethyl 4-cyano-2-formyl-5-methoxybenzoate
CID 134643526
ethyl 5-cyano-4-formyl-2-methoxybenzoate
CID 134644126
2-acetyl-4-formyl-5-methylbenzonitrile
CID 171016667
3-cyano-2-formyl-4-methoxybenzamide
CID 171013101
3-cyano-2-formyl-6-methoxybenzamide
CID 171013227
5-cyano-2-formyl-4-iodobenzamide
CID 171013624

Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-formyl-4-methoxybenzamide?
The IUPAC name of 2-cyano-5-formyl-4-methoxybenzamide (CID 171012907) is 2-cyano-5-formyl-4-methoxybenzamide.
What is the SMILES notation for 2-cyano-5-formyl-4-methoxybenzamide?
The canonical SMILES for 2-cyano-5-formyl-4-methoxybenzamide is COc1cc(C#N)c(C(N)=O)cc1C=O.
What is the InChIKey of 2-cyano-5-formyl-4-methoxybenzamide?
The InChIKey is DJTCHYNOMVITQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-15-9-3-6(4-11)8(10(12)14)2-7(9)5-13/h2-3,5H,1H3,(H2,12,14).
What are the key properties of 2-cyano-5-formyl-4-methoxybenzamide?
2-cyano-5-formyl-4-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 2-cyano-5-formyl-4-methoxybenzamide is sourced from PubChem (CID 171012907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).