3-chloro-5-(5-fluoro-2-pyridinyl)benzaldehyde

C12H7ClFNO — CID 122476961

IUPAC3-chloro-5-(5-fluoro-2-pyridinyl)benzaldehyde
SMILESO=Cc1cc(Cl)cc(-c2ccc(F)cn2)c1
InChIInChI=1S/C12H7ClFNO/c13-10-4-8(7-16)3-9(5-10)12-2-1-11(14)6-15-12/h1-7H
InChIKeyVEZQWXMFDNQUAM-UHFFFAOYSA-N
MW235.65 g/mol
LogP3.35
Rot. Bonds2

About 3-chloro-5-(5-fluoro-2-pyridinyl)benzaldehyde

3-chloro-5-(5-fluoro-2-pyridinyl)benzaldehyde (PubChem CID 122476961) has the molecular formula C12H7ClFNO and a molecular weight of 235.65 g/mol. Its IUPAC name is 3-chloro-5-(5-fluoro-2-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name3-chloro-5-(5-fluoro-2-pyridinyl)benzaldehyde
PubChem CID122476961
Molecular FormulaC12H7ClFNO
Molecular Weight235.65 g/mol
Exact Mass235.02
IUPAC Name3-chloro-5-(5-fluoro-2-pyridinyl)benzaldehyde
SMILESO=Cc1cc(Cl)cc(-c2ccc(F)cn2)c1
InChIInChI=1S/C12H7ClFNO/c13-10-4-8(7-16)3-9(5-10)12-2-1-11(14)6-15-12/h1-7H
InChIKeyVEZQWXMFDNQUAM-UHFFFAOYSA-N
XLogP3.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.65
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(3-chloro-5-fluorophenyl)pyridine-3-carbaldehyde
CID 175646834
5-fluoro-2-(3,4,5-trichlorophenyl)pyridine
CID 133090365
5-fluoro-2-(2,4,6-trichlorophenyl)pyridine
CID 133090364
2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde
CID 79717980
3-(3,5-dichlorophenyl)-5-fluorobenzaldehyde
CID 134623785
6-(2-chloro-4-fluorophenyl)pyridine-3-carbaldehyde
CID 175646824
3-chloro-5-(4-chloro-3-fluorophenyl)benzaldehyde
CID 172653719
1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone
CID 175646991
3-(5-fluoro-2-pyridinyl)-4-methoxybenzaldehyde
CID 166638981
5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine
CID 130181966
6-chloro-5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde
CID 133088126
2-(2,5-dichlorophenyl)-5-fluoropyridine
CID 118836279

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(5-fluoro-2-pyridinyl)benzaldehyde?
The IUPAC name of 3-chloro-5-(5-fluoro-2-pyridinyl)benzaldehyde (CID 122476961) is 3-chloro-5-(5-fluoro-2-pyridinyl)benzaldehyde.
What is the SMILES notation for 3-chloro-5-(5-fluoro-2-pyridinyl)benzaldehyde?
The canonical SMILES for 3-chloro-5-(5-fluoro-2-pyridinyl)benzaldehyde is O=Cc1cc(Cl)cc(-c2ccc(F)cn2)c1.
What is the InChIKey of 3-chloro-5-(5-fluoro-2-pyridinyl)benzaldehyde?
The InChIKey is VEZQWXMFDNQUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO/c13-10-4-8(7-16)3-9(5-10)12-2-1-11(14)6-15-12/h1-7H.
What are the key properties of 3-chloro-5-(5-fluoro-2-pyridinyl)benzaldehyde?
3-chloro-5-(5-fluoro-2-pyridinyl)benzaldehyde has a molecular weight of 235.65 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(5-fluoro-2-pyridinyl)benzaldehyde is sourced from PubChem (CID 122476961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).