4-(1-pyridin-2-ylethoxy)benzoyl chloride

C14H12ClNO2 — CID 86648380

IUPAC4-(1-pyridin-2-ylethoxy)benzoyl chloride
SMILESCC(Oc1ccc(C(=O)Cl)cc1)c1ccccn1
InChIInChI=1S/C14H12ClNO2/c1-10(13-4-2-3-9-16-13)18-12-7-5-11(6-8-12)14(15)17/h2-10H,1H3
InChIKeyBEIDKBTXHHWKEB-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.60
Rot. Bonds4

About 4-(1-pyridin-2-ylethoxy)benzoyl chloride

4-(1-pyridin-2-ylethoxy)benzoyl chloride (PubChem CID 86648380) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 4-(1-pyridin-2-ylethoxy)benzoyl chloride.

Molecular Properties

Compound Name4-(1-pyridin-2-ylethoxy)benzoyl chloride
PubChem CID86648380
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name4-(1-pyridin-2-ylethoxy)benzoyl chloride
SMILESCC(Oc1ccc(C(=O)Cl)cc1)c1ccccn1
InChIInChI=1S/C14H12ClNO2/c1-10(13-4-2-3-9-16-13)18-12-7-5-11(6-8-12)14(15)17/h2-10H,1H3
InChIKeyBEIDKBTXHHWKEB-UHFFFAOYSA-N
XLogP3.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.60
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

methyl 4-(1-pyridin-2-ylethoxy)benzoate
CID 68727423
2-[(1R)-1-phenoxyethyl]pyridine
CID 15893448
1-[3-(1-pyridin-2-ylethoxy)phenyl]ethanone
CID 82037403
methyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate
CID 117095036
3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid
CID 117053449
[(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate
CID 95908447
1-pyridin-2-ylethyl propanoate
CID 141268318
(4-carboxyphenoxy)-pyridin-2-ylmethanesulfinate
CID 66852011
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
2-(4-phenylphenoxy)-N-(1-pyridin-2-ylethyl)propanamide
CID 46408411
methyl (2R)-2-amino-2-pyridin-2-ylacetate
CID 86316521
4-[(1S)-1-phenylethoxy]benzoic acid
CID 28604848

Frequently Asked Questions

What is the IUPAC name of 4-(1-pyridin-2-ylethoxy)benzoyl chloride?
The IUPAC name of 4-(1-pyridin-2-ylethoxy)benzoyl chloride (CID 86648380) is 4-(1-pyridin-2-ylethoxy)benzoyl chloride.
What is the SMILES notation for 4-(1-pyridin-2-ylethoxy)benzoyl chloride?
The canonical SMILES for 4-(1-pyridin-2-ylethoxy)benzoyl chloride is CC(Oc1ccc(C(=O)Cl)cc1)c1ccccn1.
What is the InChIKey of 4-(1-pyridin-2-ylethoxy)benzoyl chloride?
The InChIKey is BEIDKBTXHHWKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-10(13-4-2-3-9-16-13)18-12-7-5-11(6-8-12)14(15)17/h2-10H,1H3.
What are the key properties of 4-(1-pyridin-2-ylethoxy)benzoyl chloride?
4-(1-pyridin-2-ylethoxy)benzoyl chloride has a molecular weight of 261.71 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pyridin-2-ylethoxy)benzoyl chloride is sourced from PubChem (CID 86648380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).