2-(4-methylphenoxy)pyridine-3-carbonyl chloride

C13H10ClNO2 — CID 2774899

IUPAC2-(4-methylphenoxy)pyridine-3-carbonyl chloride
SMILESCc1ccc(Oc2ncccc2C(=O)Cl)cc1
InChIInChI=1S/C13H10ClNO2/c1-9-4-6-10(7-5-9)17-13-11(12(14)16)3-2-8-15-13/h2-8H,1H3
InChIKeyCGQBNLMZQVRGLL-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.56
Rot. Bonds3

About 2-(4-methylphenoxy)pyridine-3-carbonyl chloride

2-(4-methylphenoxy)pyridine-3-carbonyl chloride (PubChem CID 2774899) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 2-(4-methylphenoxy)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-(4-methylphenoxy)pyridine-3-carbonyl chloride
PubChem CID2774899
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name2-(4-methylphenoxy)pyridine-3-carbonyl chloride
SMILESCc1ccc(Oc2ncccc2C(=O)Cl)cc1
InChIInChI=1S/C13H10ClNO2/c1-9-4-6-10(7-5-9)17-13-11(12(14)16)3-2-8-15-13/h2-8H,1H3
InChIKeyCGQBNLMZQVRGLL-UHFFFAOYSA-N
XLogP3.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.56
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

[2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 101054143
N-(2-hydroxybenzoyl)-2-(4-methylphenoxy)pyridine-3-carbohydrazide
CID 91328730
2-(4-chlorophenoxy)pyridine-3-carboxylic acid
CID 609454
N'-(4-methylphenyl)-2-phenoxypyridine-3-carbohydrazide
CID 2812497
2-(4-chlorophenoxy)pyridine-3-carboxamide
CID 2774902
2-(2,4-dichlorophenoxy)pyridine-3-carbonyl chloride
CID 170944074
2-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 605123
1-[2-(4-methylsulfanylphenoxy)-3-pyridinyl]ethanone
CID 114055674
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 23903349
2-methylpyridine-3-carbonyl chloride;hydrochloride
CID 18321920
2-[4-(methylamino)phenoxy]pyridine-3-carboxamide
CID 54909137
2-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91385199

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)pyridine-3-carbonyl chloride?
The IUPAC name of 2-(4-methylphenoxy)pyridine-3-carbonyl chloride (CID 2774899) is 2-(4-methylphenoxy)pyridine-3-carbonyl chloride.
What is the SMILES notation for 2-(4-methylphenoxy)pyridine-3-carbonyl chloride?
The canonical SMILES for 2-(4-methylphenoxy)pyridine-3-carbonyl chloride is Cc1ccc(Oc2ncccc2C(=O)Cl)cc1.
What is the InChIKey of 2-(4-methylphenoxy)pyridine-3-carbonyl chloride?
The InChIKey is CGQBNLMZQVRGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c1-9-4-6-10(7-5-9)17-13-11(12(14)16)3-2-8-15-13/h2-8H,1H3.
What are the key properties of 2-(4-methylphenoxy)pyridine-3-carbonyl chloride?
2-(4-methylphenoxy)pyridine-3-carbonyl chloride has a molecular weight of 247.68 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)pyridine-3-carbonyl chloride is sourced from PubChem (CID 2774899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).