3-(4-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-methylbenzaldehyde

C13H9ClFNO2 — CID 177366768

IUPAC3-(4-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-methylbenzaldehyde
SMILESCc1cc(C=O)c(O)c(-c2nccc(Cl)c2F)c1
InChIInChI=1S/C13H9ClFNO2/c1-7-4-8(6-17)13(18)9(5-7)12-11(15)10(14)2-3-16-12/h2-6,18H,1H3
InChIKeyMBCHDUZGAZRNIX-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.37
Rot. Bonds2

About 3-(4-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-methylbenzaldehyde

3-(4-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-methylbenzaldehyde (PubChem CID 177366768) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is 3-(4-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-methylbenzaldehyde.

Molecular Properties

Compound Name3-(4-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-methylbenzaldehyde
PubChem CID177366768
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name3-(4-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-methylbenzaldehyde
SMILESCc1cc(C=O)c(O)c(-c2nccc(Cl)c2F)c1
InChIInChI=1S/C13H9ClFNO2/c1-7-4-8(6-17)13(18)9(5-7)12-11(15)10(14)2-3-16-12/h2-6,18H,1H3
InChIKeyMBCHDUZGAZRNIX-UHFFFAOYSA-N
XLogP3.37
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-fluoro-5-methylbenzaldehyde
CID 84654476
2-hydroxy-3,5-dimethylbenzaldehyde
CID 4770245
5-chloro-2-(3-fluoro-4-methyl-2-pyridinyl)phenol
CID 177205307
4-chloro-3-fluoro-2-methylpyridine
CID 18727750
CID 87540870
CID 87540870
4-(3-chloro-2-fluorophenyl)-2,5-dimethylbenzaldehyde
CID 165451387
3-chloro-2-(2,4,5-trichlorophenyl)pyridine-4-carbaldehyde
CID 134625710
5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84778086
2-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde
CID 118841863
2-hydroxy-3-(hydroxyiminomethyl)-5-methylbenzaldehyde
CID 137203329
3-ethyl-2-hydroxy-5-methylbenzaldehyde
CID 123167289
2-(2-chloro-4,5-difluorophenyl)-4-methylbenzaldehyde
CID 107476829

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-methylbenzaldehyde?
The IUPAC name of 3-(4-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-methylbenzaldehyde (CID 177366768) is 3-(4-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-methylbenzaldehyde.
What is the SMILES notation for 3-(4-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-methylbenzaldehyde?
The canonical SMILES for 3-(4-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-methylbenzaldehyde is Cc1cc(C=O)c(O)c(-c2nccc(Cl)c2F)c1.
What is the InChIKey of 3-(4-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-methylbenzaldehyde?
The InChIKey is MBCHDUZGAZRNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c1-7-4-8(6-17)13(18)9(5-7)12-11(15)10(14)2-3-16-12/h2-6,18H,1H3.
What are the key properties of 3-(4-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-methylbenzaldehyde?
3-(4-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-methylbenzaldehyde has a molecular weight of 265.67 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluoro-2-pyridinyl)-2-hydroxy-5-methylbenzaldehyde is sourced from PubChem (CID 177366768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).