2-azido-6-chloro-3-fluorobenzoic acid

C7H3ClFN3O2 — CID 169325799

IUPAC2-azido-6-chloro-3-fluorobenzoic acid
SMILES[N-]=[N+]=Nc1c(F)ccc(Cl)c1C(=O)O
InChIInChI=1S/C7H3ClFN3O2/c8-3-1-2-4(9)6(11-12-10)5(3)7(13)14/h1-2H,(H,13,14)
InChIKeyQMPOFHQPGOFTAG-UHFFFAOYSA-N
MW215.57 g/mol
LogP3.12
Rot. Bonds2

About 2-azido-6-chloro-3-fluorobenzoic acid

2-azido-6-chloro-3-fluorobenzoic acid (PubChem CID 169325799) has the molecular formula C7H3ClFN3O2 and a molecular weight of 215.57 g/mol. Its IUPAC name is 2-azido-6-chloro-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-azido-6-chloro-3-fluorobenzoic acid
PubChem CID169325799
Molecular FormulaC7H3ClFN3O2
Molecular Weight215.57 g/mol
Exact Mass214.99
IUPAC Name2-azido-6-chloro-3-fluorobenzoic acid
SMILES[N-]=[N+]=Nc1c(F)ccc(Cl)c1C(=O)O
InChIInChI=1S/C7H3ClFN3O2/c8-3-1-2-4(9)6(11-12-10)5(3)7(13)14/h1-2H,(H,13,14)
InChIKeyQMPOFHQPGOFTAG-UHFFFAOYSA-N
XLogP3.12
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.57
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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2-azido-6-fluoro-4-methylbenzoic acid
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CID 50998364
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CID 151172193
2-chloro-6-fluoro-3-methylbenzoic acid
CID 2773668
4-azido-2,3,5,6-tetrafluorobenzoic acid;4-(4-hydroxyphenyl)phenol;[4-(4-hydroxyphenyl)phenyl] 4-azido-2,3,5,6-tetrafluorobenzoate
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4-azido-2,3,5-trifluoro-6-nitrobenzoic acid
CID 14642576
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CID 151595284

Frequently Asked Questions

What is the IUPAC name of 2-azido-6-chloro-3-fluorobenzoic acid?
The IUPAC name of 2-azido-6-chloro-3-fluorobenzoic acid (CID 169325799) is 2-azido-6-chloro-3-fluorobenzoic acid.
What is the SMILES notation for 2-azido-6-chloro-3-fluorobenzoic acid?
The canonical SMILES for 2-azido-6-chloro-3-fluorobenzoic acid is [N-]=[N+]=Nc1c(F)ccc(Cl)c1C(=O)O.
What is the InChIKey of 2-azido-6-chloro-3-fluorobenzoic acid?
The InChIKey is QMPOFHQPGOFTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFN3O2/c8-3-1-2-4(9)6(11-12-10)5(3)7(13)14/h1-2H,(H,13,14).
What are the key properties of 2-azido-6-chloro-3-fluorobenzoic acid?
2-azido-6-chloro-3-fluorobenzoic acid has a molecular weight of 215.57 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-6-chloro-3-fluorobenzoic acid is sourced from PubChem (CID 169325799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).