6-chloro-2-fluoro-3-methoxybenzoic acid

C8H6ClFO3 — CID 3856039

IUPAC6-chloro-2-fluoro-3-methoxybenzoic acid
SMILESCOc1ccc(Cl)c(C(=O)O)c1F
InChIInChI=1S/C8H6ClFO3/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3H,1H3,(H,11,12)
InChIKeyLCBOXBUSYYCBLU-UHFFFAOYSA-N
MW204.58 g/mol
LogP2.19
Rot. Bonds2

About 6-chloro-2-fluoro-3-methoxybenzoic acid

6-chloro-2-fluoro-3-methoxybenzoic acid (PubChem CID 3856039) has the molecular formula C8H6ClFO3 and a molecular weight of 204.58 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-methoxybenzoic acid.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-methoxybenzoic acid
PubChem CID3856039
Molecular FormulaC8H6ClFO3
Molecular Weight204.58 g/mol
Exact Mass204.00
IUPAC Name6-chloro-2-fluoro-3-methoxybenzoic acid
SMILESCOc1ccc(Cl)c(C(=O)O)c1F
InChIInChI=1S/C8H6ClFO3/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3H,1H3,(H,11,12)
InChIKeyLCBOXBUSYYCBLU-UHFFFAOYSA-N
XLogP2.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.58
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-Trifluoro-3-methoxybenzoic acid
CID 2733970
2-Chloro-5-hydroxybenzoic acid
CID 458210
4-Chloro-3-methoxybenzoic acid
CID 2063378
2-Chloro-5-(4-chlorophenoxy)benzoic acid
CID 139594202
4-Fluoro-3-methoxybenzoic acid
CID 598436
3-Chloro-5-methoxybenzoic acid
CID 12909341
3-[(2-Chlorobenzyl)oxy]benzoic acid
CID 663786
2-Fluoro-5-methoxybenzoic acid
CID 2774543
3-(4-Chlorophenoxy)benzoic acid
CID 15354826
2-Chloro-5-methoxybenzoic acid
CID 221503
3-(Difluoromethoxy)-2,6-difluorobenzoic acid
CID 46311569
2,6-Difluoro-3-methoxybenzoic acid
CID 604773

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-methoxybenzoic acid?
The IUPAC name of 6-chloro-2-fluoro-3-methoxybenzoic acid (CID 3856039) is 6-chloro-2-fluoro-3-methoxybenzoic acid.
What is the SMILES notation for 6-chloro-2-fluoro-3-methoxybenzoic acid?
The canonical SMILES for 6-chloro-2-fluoro-3-methoxybenzoic acid is COc1ccc(Cl)c(C(=O)O)c1F.
What is the InChIKey of 6-chloro-2-fluoro-3-methoxybenzoic acid?
The InChIKey is LCBOXBUSYYCBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO3/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3H,1H3,(H,11,12).
What are the key properties of 6-chloro-2-fluoro-3-methoxybenzoic acid?
6-chloro-2-fluoro-3-methoxybenzoic acid has a molecular weight of 204.58 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-methoxybenzoic acid is sourced from PubChem (CID 3856039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).