4-cyano-2-formyl-5-iodobenzoyl chloride

C9H3ClINO2 — CID 171013159

IUPAC4-cyano-2-formyl-5-iodobenzoyl chloride
SMILESN#Cc1cc(C=O)c(C(=O)Cl)cc1I
InChIInChI=1S/C9H3ClINO2/c10-9(14)7-2-8(11)5(3-12)1-6(7)4-13/h1-2,4H
InChIKeyUDMPUAKYHWWTKN-UHFFFAOYSA-N
MW319.49 g/mol
LogP2.35
Rot. Bonds2

About 4-cyano-2-formyl-5-iodobenzoyl chloride

4-cyano-2-formyl-5-iodobenzoyl chloride (PubChem CID 171013159) has the molecular formula C9H3ClINO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 4-cyano-2-formyl-5-iodobenzoyl chloride.

Molecular Properties

Compound Name4-cyano-2-formyl-5-iodobenzoyl chloride
PubChem CID171013159
Molecular FormulaC9H3ClINO2
Molecular Weight319.49 g/mol
Exact Mass318.89
IUPAC Name4-cyano-2-formyl-5-iodobenzoyl chloride
SMILESN#Cc1cc(C=O)c(C(=O)Cl)cc1I
InChIInChI=1S/C9H3ClINO2/c10-9(14)7-2-8(11)5(3-12)1-6(7)4-13/h1-2,4H
InChIKeyUDMPUAKYHWWTKN-UHFFFAOYSA-N
XLogP2.35
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-2-formyl-4-iodobenzamide
CID 171013624
5-cyano-4-formyl-2-methylbenzoyl chloride
CID 171017520
2-(2-bromoacetyl)-5-formyl-4-iodobenzonitrile
CID 171013095
3-cyano-2-formyl-5-methylbenzoyl chloride
CID 171017519
4-cyano-5-fluoro-2-formylbenzamide
CID 171015999
methyl 2-chloro-4-cyano-5-iodobenzoate
CID 130927091
5-acetyl-4-formyl-2-methylbenzonitrile
CID 171016816
2-formyl-4,5-bis(trifluoromethyl)benzoyl chloride
CID 118828279
ethyl 5-chloro-4-cyano-2-formylbenzoate
CID 134650936
4-(2-chloroacetyl)-2-formyl-6-iodobenzonitrile
CID 171013098
2-cyano-4-formyl-3-methylbenzoyl chloride
CID 171017946
5-formyl-2-iodo-4-methoxybenzoyl chloride
CID 171015548

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-formyl-5-iodobenzoyl chloride?
The IUPAC name of 4-cyano-2-formyl-5-iodobenzoyl chloride (CID 171013159) is 4-cyano-2-formyl-5-iodobenzoyl chloride.
What is the SMILES notation for 4-cyano-2-formyl-5-iodobenzoyl chloride?
The canonical SMILES for 4-cyano-2-formyl-5-iodobenzoyl chloride is N#Cc1cc(C=O)c(C(=O)Cl)cc1I.
What is the InChIKey of 4-cyano-2-formyl-5-iodobenzoyl chloride?
The InChIKey is UDMPUAKYHWWTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3ClINO2/c10-9(14)7-2-8(11)5(3-12)1-6(7)4-13/h1-2,4H.
What are the key properties of 4-cyano-2-formyl-5-iodobenzoyl chloride?
4-cyano-2-formyl-5-iodobenzoyl chloride has a molecular weight of 319.49 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-formyl-5-iodobenzoyl chloride is sourced from PubChem (CID 171013159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).