2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzaldehyde

C12H7ClFNO2 — CID 64601385

IUPAC2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C12H7ClFNO2/c13-9-4-11(6-15-5-9)17-12-2-1-10(14)3-8(12)7-16/h1-7H
InChIKeyQMUDLBSQSHSAHM-UHFFFAOYSA-N
MW251.64 g/mol
LogP3.48
Rot. Bonds3

About 2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzaldehyde

2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzaldehyde (PubChem CID 64601385) has the molecular formula C12H7ClFNO2 and a molecular weight of 251.64 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzaldehyde
PubChem CID64601385
Molecular FormulaC12H7ClFNO2
Molecular Weight251.64 g/mol
Exact Mass251.01
IUPAC Name2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C12H7ClFNO2/c13-9-4-11(6-15-5-9)17-12-2-1-10(14)3-8(12)7-16/h1-7H
InChIKeyQMUDLBSQSHSAHM-UHFFFAOYSA-N
XLogP3.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.64
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pyridin-3-yl 3-chlorobenzoate
CID 943638
5-chloropyridin-3-yl 2-oxo-2H-chromene-3-carboxylate
CID 10804277
5-Chloropyridin-3-yl 4-chlorobenzoate
CID 16202740
5-Chloropyridin-3-yl 3-methoxybenzoate
CID 16204324
2-(Pyridin-2-ylmethoxy)benzaldehyde
CID 771116
1-(4-{[3-Chloro-5-(trifluoromethyl)-2-pyridyl]methoxy}phenyl)ethan-1-one
CID 2745745
Pyridin-3-yl 4-chlorobenzoate hydrochloride
CID 6602830
(5-Chloro-3-pyridinyl) 4-ethoxy-2-fluorobenzoate
CID 177378872
(5-Chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate
CID 177378873
Pyridin-3-yl 3,4-dichlorobenzoate
CID 3239779
2-(2-Chloro-4-pyridinyl)-3-(4-fluorophenyl)chromen-4-one
CID 56594666
(5-Chloro-3-pyridinyl) benzoate
CID 3498108

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzaldehyde?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzaldehyde (CID 64601385) is 2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzaldehyde.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzaldehyde?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzaldehyde is O=Cc1cc(F)ccc1Oc1cncc(Cl)c1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzaldehyde?
The InChIKey is QMUDLBSQSHSAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO2/c13-9-4-11(6-15-5-9)17-12-2-1-10(14)3-8(12)7-16/h1-7H.
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzaldehyde?
2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzaldehyde has a molecular weight of 251.64 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)oxy]-5-fluorobenzaldehyde is sourced from PubChem (CID 64601385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).