6-(2-fluorophenoxy)pyridine-3-carbonyl chloride

C12H7ClFNO2 — CID 23148937

IUPAC6-(2-fluorophenoxy)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc(Oc2ccccc2F)nc1
InChIInChI=1S/C12H7ClFNO2/c13-12(16)8-5-6-11(15-7-8)17-10-4-2-1-3-9(10)14/h1-7H
InChIKeyVTAPBWVAPWAXPN-UHFFFAOYSA-N
MW251.64 g/mol
LogP3.39
Rot. Bonds3

About 6-(2-fluorophenoxy)pyridine-3-carbonyl chloride

6-(2-fluorophenoxy)pyridine-3-carbonyl chloride (PubChem CID 23148937) has the molecular formula C12H7ClFNO2 and a molecular weight of 251.64 g/mol. Its IUPAC name is 6-(2-fluorophenoxy)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-(2-fluorophenoxy)pyridine-3-carbonyl chloride
PubChem CID23148937
Molecular FormulaC12H7ClFNO2
Molecular Weight251.64 g/mol
Exact Mass251.01
IUPAC Name6-(2-fluorophenoxy)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc(Oc2ccccc2F)nc1
InChIInChI=1S/C12H7ClFNO2/c13-12(16)8-5-6-11(15-7-8)17-10-4-2-1-3-9(10)14/h1-7H
InChIKeyVTAPBWVAPWAXPN-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-(2-fluorophenoxy)pyridine-3-carboxylate
CID 23148943
2,3,3-trichloro-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide
CID 2779657
2-(2-fluorophenoxy)-5-(trifluoromethyl)pyridine
CID 894987
(4-cyclopropyl-1,4-diazepan-1-yl)-[6-(2-fluorophenoxy)-3-pyridinyl]methanone
CID 24771472
6-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 118826570
6-(2-fluorophenoxy)pyridine-3-carbonitrile
CID 24698553
1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea
CID 42878509
methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate
CID 134204705
6-(2-phenylphenoxy)pyridine-3-carboxylic acid
CID 43825428
6-chlorosulfinyloxypyridine-3-carbonyl chloride
CID 22961185
6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid
CID 55245031
ethyl 5-[6-(2-fluorophenoxy)-3-pyridinyl]pentanoate
CID 147072471

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenoxy)pyridine-3-carbonyl chloride?
The IUPAC name of 6-(2-fluorophenoxy)pyridine-3-carbonyl chloride (CID 23148937) is 6-(2-fluorophenoxy)pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-(2-fluorophenoxy)pyridine-3-carbonyl chloride?
The canonical SMILES for 6-(2-fluorophenoxy)pyridine-3-carbonyl chloride is O=C(Cl)c1ccc(Oc2ccccc2F)nc1.
What is the InChIKey of 6-(2-fluorophenoxy)pyridine-3-carbonyl chloride?
The InChIKey is VTAPBWVAPWAXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO2/c13-12(16)8-5-6-11(15-7-8)17-10-4-2-1-3-9(10)14/h1-7H.
What are the key properties of 6-(2-fluorophenoxy)pyridine-3-carbonyl chloride?
6-(2-fluorophenoxy)pyridine-3-carbonyl chloride has a molecular weight of 251.64 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenoxy)pyridine-3-carbonyl chloride is sourced from PubChem (CID 23148937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).