4-cyano-2-formyl-6-methoxybenzamide

C10H8N2O3 — CID 171012711

IUPAC4-cyano-2-formyl-6-methoxybenzamide
SMILESCOc1cc(C#N)cc(C=O)c1C(N)=O
InChIInChI=1S/C10H8N2O3/c1-15-8-3-6(4-11)2-7(5-13)9(8)10(12)14/h2-3,5H,1H3,(H2,12,14)
InChIKeyJIUCZENXNSDRBI-UHFFFAOYSA-N
MW204.18 g/mol
LogP0.48
Rot. Bonds3

About 4-cyano-2-formyl-6-methoxybenzamide

4-cyano-2-formyl-6-methoxybenzamide (PubChem CID 171012711) has the molecular formula C10H8N2O3 and a molecular weight of 204.18 g/mol. Its IUPAC name is 4-cyano-2-formyl-6-methoxybenzamide.

Molecular Properties

Compound Name4-cyano-2-formyl-6-methoxybenzamide
PubChem CID171012711
Molecular FormulaC10H8N2O3
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC Name4-cyano-2-formyl-6-methoxybenzamide
SMILESCOc1cc(C#N)cc(C=O)c1C(N)=O
InChIInChI=1S/C10H8N2O3/c1-15-8-3-6(4-11)2-7(5-13)9(8)10(12)14/h2-3,5H,1H3,(H2,12,14)
InChIKeyJIUCZENXNSDRBI-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

4-acetyl-3-formyl-5-methoxybenzonitrile
CID 171012843
4-cyano-2-formyl-6-(trifluoromethyl)benzamide
CID 171012009
(E)-3-(5-cyano-2-formyl-3-methoxyphenyl)prop-2-enoic acid
CID 171014054
2-cyano-5-formyl-4-methoxybenzamide
CID 171012907
3-cyano-2-formyl-6-methoxybenzamide
CID 171013227
3-(4-cyano-2-methoxyphenyl)prop-2-enamide
CID 169482899
ethyl 4-cyano-2-formyl-6-(trifluoromethyl)benzoate
CID 134641614
3-(2-aminoacetyl)-4-hydroxy-5-methoxybenzonitrile
CID 117294523
4-cyano-2-(difluoromethyl)-6-methoxybenzoic acid
CID 118827832
4-acetyl-3-(difluoromethyl)-5-formylbenzonitrile
CID 171030947
4-acetyl-3-methoxy-5-(trifluoromethyl)benzonitrile
CID 171031262
4-cyano-2-methoxy-6-(trifluoromethyl)benzoic acid
CID 118833498

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-formyl-6-methoxybenzamide?
The IUPAC name of 4-cyano-2-formyl-6-methoxybenzamide (CID 171012711) is 4-cyano-2-formyl-6-methoxybenzamide.
What is the SMILES notation for 4-cyano-2-formyl-6-methoxybenzamide?
The canonical SMILES for 4-cyano-2-formyl-6-methoxybenzamide is COc1cc(C#N)cc(C=O)c1C(N)=O.
What is the InChIKey of 4-cyano-2-formyl-6-methoxybenzamide?
The InChIKey is JIUCZENXNSDRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-15-8-3-6(4-11)2-7(5-13)9(8)10(12)14/h2-3,5H,1H3,(H2,12,14).
What are the key properties of 4-cyano-2-formyl-6-methoxybenzamide?
4-cyano-2-formyl-6-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 4-cyano-2-formyl-6-methoxybenzamide is sourced from PubChem (CID 171012711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).