4-methoxy-6-pentan-3-ylpyridine-2-carbonyl chloride

C12H16ClNO2 — CID 142763584

IUPAC4-methoxy-6-pentan-3-ylpyridine-2-carbonyl chloride
SMILESCCC(CC)c1cc(OC)cc(C(=O)Cl)n1
InChIInChI=1S/C12H16ClNO2/c1-4-8(5-2)10-6-9(16-3)7-11(14-10)12(13)15/h6-8H,4-5H2,1-3H3
InChIKeyAROVMQDRXQFZAF-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.37
Rot. Bonds5

About 4-methoxy-6-pentan-3-ylpyridine-2-carbonyl chloride

4-methoxy-6-pentan-3-ylpyridine-2-carbonyl chloride (PubChem CID 142763584) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-methoxy-6-pentan-3-ylpyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-methoxy-6-pentan-3-ylpyridine-2-carbonyl chloride
PubChem CID142763584
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name4-methoxy-6-pentan-3-ylpyridine-2-carbonyl chloride
SMILESCCC(CC)c1cc(OC)cc(C(=O)Cl)n1
InChIInChI=1S/C12H16ClNO2/c1-4-8(5-2)10-6-9(16-3)7-11(14-10)12(13)15/h6-8H,4-5H2,1-3H3
InChIKeyAROVMQDRXQFZAF-UHFFFAOYSA-N
XLogP3.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.37
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

8-methoxy-2-pentan-3-ylquinoline-4-carboxylic acid
CID 5079636
methyl 6-chloro-4-methoxypyridine-2-carboxylate
CID 45489866
methyl 2-(butan-2-ylamino)-2-(3,5-dimethoxyphenyl)acetate
CID 61024922
2-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109297207
4-methoxy-2,6-dimethylbenzoyl chloride
CID 12624144
1-(3-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid
CID 82361913
6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109340698
2-amino-4-(3,5-dimethoxyphenyl)hexanoic acid
CID 175245941
3-methoxy-5-pentan-3-yloxybenzoic acid
CID 21061969
CID 58621336
CID 58621336
5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
CID 43840572
3-butoxy-5-methoxybenzoyl chloride
CID 88582217

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-pentan-3-ylpyridine-2-carbonyl chloride?
The IUPAC name of 4-methoxy-6-pentan-3-ylpyridine-2-carbonyl chloride (CID 142763584) is 4-methoxy-6-pentan-3-ylpyridine-2-carbonyl chloride.
What is the SMILES notation for 4-methoxy-6-pentan-3-ylpyridine-2-carbonyl chloride?
The canonical SMILES for 4-methoxy-6-pentan-3-ylpyridine-2-carbonyl chloride is CCC(CC)c1cc(OC)cc(C(=O)Cl)n1.
What is the InChIKey of 4-methoxy-6-pentan-3-ylpyridine-2-carbonyl chloride?
The InChIKey is AROVMQDRXQFZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-4-8(5-2)10-6-9(16-3)7-11(14-10)12(13)15/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-methoxy-6-pentan-3-ylpyridine-2-carbonyl chloride?
4-methoxy-6-pentan-3-ylpyridine-2-carbonyl chloride has a molecular weight of 241.72 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-pentan-3-ylpyridine-2-carbonyl chloride is sourced from PubChem (CID 142763584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).