2-chloro-3-fluoro-6-hydroxybenzaldehyde

C7H4ClFO2 — CID 53407597

IUPAC2-chloro-3-fluoro-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)ccc(F)c1Cl
InChIInChI=1S/C7H4ClFO2/c8-7-4(3-10)6(11)2-1-5(7)9/h1-3,11H
InChIKeyBIJQDOONYNJEHP-UHFFFAOYSA-N
MW174.56 g/mol
LogP2.00
Rot. Bonds1

About 2-chloro-3-fluoro-6-hydroxybenzaldehyde

2-chloro-3-fluoro-6-hydroxybenzaldehyde (PubChem CID 53407597) has the molecular formula C7H4ClFO2 and a molecular weight of 174.56 g/mol. Its IUPAC name is 2-chloro-3-fluoro-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-chloro-3-fluoro-6-hydroxybenzaldehyde
PubChem CID53407597
Molecular FormulaC7H4ClFO2
Molecular Weight174.56 g/mol
Exact Mass173.99
IUPAC Name2-chloro-3-fluoro-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)ccc(F)c1Cl
InChIInChI=1S/C7H4ClFO2/c8-7-4(3-10)6(11)2-1-5(7)9/h1-3,11H
InChIKeyBIJQDOONYNJEHP-UHFFFAOYSA-N
XLogP2.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.56
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-6-hydroxybenzaldehyde?
The IUPAC name of 2-chloro-3-fluoro-6-hydroxybenzaldehyde (CID 53407597) is 2-chloro-3-fluoro-6-hydroxybenzaldehyde.
What is the SMILES notation for 2-chloro-3-fluoro-6-hydroxybenzaldehyde?
The canonical SMILES for 2-chloro-3-fluoro-6-hydroxybenzaldehyde is O=Cc1c(O)ccc(F)c1Cl.
What is the InChIKey of 2-chloro-3-fluoro-6-hydroxybenzaldehyde?
The InChIKey is BIJQDOONYNJEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFO2/c8-7-4(3-10)6(11)2-1-5(7)9/h1-3,11H.
What are the key properties of 2-chloro-3-fluoro-6-hydroxybenzaldehyde?
2-chloro-3-fluoro-6-hydroxybenzaldehyde has a molecular weight of 174.56 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-chloro-3-fluoro-6-hydroxybenzaldehyde is sourced from PubChem (CID 53407597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).