5-chloro-3-fluoro-2-iodobenzoic acid

C7H3ClFIO2 — CID 171001878

IUPAC5-chloro-3-fluoro-2-iodobenzoic acid
SMILESO=C(O)c1cc(Cl)cc(F)c1I
InChIInChI=1S/C7H3ClFIO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
InChIKeyHFEJWYVXIRSNMI-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.78
Rot. Bonds1

About 5-chloro-3-fluoro-2-iodobenzoic acid

5-chloro-3-fluoro-2-iodobenzoic acid (PubChem CID 171001878) has the molecular formula C7H3ClFIO2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-iodobenzoic acid.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-iodobenzoic acid
PubChem CID171001878
Molecular FormulaC7H3ClFIO2
Molecular Weight300.45 g/mol
Exact Mass299.89
IUPAC Name5-chloro-3-fluoro-2-iodobenzoic acid
SMILESO=C(O)c1cc(Cl)cc(F)c1I
InChIInChI=1S/C7H3ClFIO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
InChIKeyHFEJWYVXIRSNMI-UHFFFAOYSA-N
XLogP2.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dichloro-3-fluorophenyl)-2-oxoacetic acid
CID 117345899
2-amino-5-chloro-3-iodobenzoic acid
CID 53441656
5-chloro-2-fluoro-3-methylbenzoic acid
CID 79002360
5-chloro-3-iodo-2-methylbenzoic acid
CID 82883475
5-chloro-2-fluoro-3-(2-fluoroethylsulfonyl)benzoic acid
CID 80694120
5-chloro-2-fluorobenzoyl chloride
CID 2773604
4,5-difluoro-2-iodobenzoic acid
CID 14997472
2,5-dichloro-3-fluorobenzamide
CID 121228309
3-(bromomethyl)-5-chloro-2-fluorobenzoic acid
CID 171019585
5-chloro-2-(3,5-difluorophenyl)benzoic acid
CID 82107209
2-chloro-4,5-difluorobenzoic acid;hydrochloride
CID 67860765
2-(4-chlorophenyl)-5-fluorobenzoic acid
CID 39232323

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-iodobenzoic acid?
The IUPAC name of 5-chloro-3-fluoro-2-iodobenzoic acid (CID 171001878) is 5-chloro-3-fluoro-2-iodobenzoic acid.
What is the SMILES notation for 5-chloro-3-fluoro-2-iodobenzoic acid?
The canonical SMILES for 5-chloro-3-fluoro-2-iodobenzoic acid is O=C(O)c1cc(Cl)cc(F)c1I.
What is the InChIKey of 5-chloro-3-fluoro-2-iodobenzoic acid?
The InChIKey is HFEJWYVXIRSNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFIO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12).
What are the key properties of 5-chloro-3-fluoro-2-iodobenzoic acid?
5-chloro-3-fluoro-2-iodobenzoic acid has a molecular weight of 300.45 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-iodobenzoic acid is sourced from PubChem (CID 171001878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).