2-cyano-5-fluoro-4-iodobenzoic acid

C8H3FINO2 — CID 130935447

IUPAC2-cyano-5-fluoro-4-iodobenzoic acid
SMILESN#Cc1cc(I)c(F)cc1C(=O)O
InChIInChI=1S/C8H3FINO2/c9-6-2-5(8(12)13)4(3-11)1-7(6)10/h1-2H,(H,12,13)
InChIKeyUUZQDLRWYLOJKE-UHFFFAOYSA-N
MW291.02 g/mol
LogP2.00
Rot. Bonds1

About 2-cyano-5-fluoro-4-iodobenzoic acid

2-cyano-5-fluoro-4-iodobenzoic acid (PubChem CID 130935447) has the molecular formula C8H3FINO2 and a molecular weight of 291.02 g/mol. Its IUPAC name is 2-cyano-5-fluoro-4-iodobenzoic acid.

Molecular Properties

Compound Name2-cyano-5-fluoro-4-iodobenzoic acid
PubChem CID130935447
Molecular FormulaC8H3FINO2
Molecular Weight291.02 g/mol
Exact Mass290.92
IUPAC Name2-cyano-5-fluoro-4-iodobenzoic acid
SMILESN#Cc1cc(I)c(F)cc1C(=O)O
InChIInChI=1S/C8H3FINO2/c9-6-2-5(8(12)13)4(3-11)1-7(6)10/h1-2H,(H,12,13)
InChIKeyUUZQDLRWYLOJKE-UHFFFAOYSA-N
XLogP2.00
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.02
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-cyano-4-fluorobenzoic acid
CID 21266837
2-cyano-5-(difluoromethoxy)-4-iodobenzoic acid
CID 119010336
2-(2-bromoacetyl)-5-fluoro-4-iodobenzonitrile
CID 171021895
2-cyano-4-ethyl-5-iodobenzoic acid
CID 131072104
4-cyano-5-fluoro-2-methylbenzoic acid
CID 130980145
4,5-difluoro-2-iodobenzoic acid
CID 14997472
4-cyano-5-fluoro-2-nitrobenzoic acid
CID 118460991
4-cyano-5-fluoro-2-methoxybenzoic acid
CID 131092344
3-cyano-2-fluoro-4-iodobenzoic acid
CID 130776628
5-bromo-2-cyano-4-hydroxybenzoic acid
CID 121227775
5-fluoro-2,4-dimethoxybenzoic acid;5-fluoro-2,4-dimethoxybenzonitrile
CID 159510028
4-cyano-2-fluoro-5-nitrobenzoic acid
CID 45073549

Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-fluoro-4-iodobenzoic acid?
The IUPAC name of 2-cyano-5-fluoro-4-iodobenzoic acid (CID 130935447) is 2-cyano-5-fluoro-4-iodobenzoic acid.
What is the SMILES notation for 2-cyano-5-fluoro-4-iodobenzoic acid?
The canonical SMILES for 2-cyano-5-fluoro-4-iodobenzoic acid is N#Cc1cc(I)c(F)cc1C(=O)O.
What is the InChIKey of 2-cyano-5-fluoro-4-iodobenzoic acid?
The InChIKey is UUZQDLRWYLOJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3FINO2/c9-6-2-5(8(12)13)4(3-11)1-7(6)10/h1-2H,(H,12,13).
What are the key properties of 2-cyano-5-fluoro-4-iodobenzoic acid?
2-cyano-5-fluoro-4-iodobenzoic acid has a molecular weight of 291.02 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-fluoro-4-iodobenzoic acid is sourced from PubChem (CID 130935447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).