1-[(2-chloro-4-pyridinyl)oxy]propan-2-yl carbamate

C9H11ClN2O3 — CID 175531201

IUPAC1-[(2-chloro-4-pyridinyl)oxy]propan-2-yl carbamate
SMILESCC(COc1ccnc(Cl)c1)OC(N)=O
InChIInChI=1S/C9H11ClN2O3/c1-6(15-9(11)13)5-14-7-2-3-12-8(10)4-7/h2-4,6H,5H2,1H3,(H2,11,13)
InChIKeyWESSGBNAAQJYKQ-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.60
Rot. Bonds4

About 1-[(2-chloro-4-pyridinyl)oxy]propan-2-yl carbamate

1-[(2-chloro-4-pyridinyl)oxy]propan-2-yl carbamate (PubChem CID 175531201) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 1-[(2-chloro-4-pyridinyl)oxy]propan-2-yl carbamate.

Molecular Properties

Compound Name1-[(2-chloro-4-pyridinyl)oxy]propan-2-yl carbamate
PubChem CID175531201
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name1-[(2-chloro-4-pyridinyl)oxy]propan-2-yl carbamate
SMILESCC(COc1ccnc(Cl)c1)OC(N)=O
InChIInChI=1S/C9H11ClN2O3/c1-6(15-9(11)13)5-14-7-2-3-12-8(10)4-7/h2-4,6H,5H2,1H3,(H2,11,13)
InChIKeyWESSGBNAAQJYKQ-UHFFFAOYSA-N
XLogP1.60
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[(2-chloro-4-pyridinyl)oxy]propan-2-yl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-iodophenoxy)propan-2-yl carbamate
CID 175114325
2-chloro-4-(3-methylbutoxy)pyridine
CID 63777400
2-chloro-4-(4-methylpentoxy)pyridine
CID 63776506
2-[(2-chloro-4-pyridinyl)oxy]ethanamine
CID 84654514
2-[(2-chloro-4-pyridinyl)oxy]-N-oxoacetamide
CID 144505227
1-[6-[(2-chloro-4-pyridinyl)oxymethyl]-3-pyridinyl]ethanone
CID 123451194
2-chloro-4-[3-(2-methoxyethoxy)propoxy]pyridine
CID 103402231
1-(2-chloro-4-pyridinyl)-1-propan-2-ylurea
CID 72943135
ethyl 5-[(2-chloro-4-pyridinyl)oxy]-2-methylbenzoate
CID 171634888
tert-butyl-[3-[(2-chloro-4-pyridinyl)oxy]butoxy]-dimethylsilane
CID 171372611
ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate
CID 102824081
2-[(2-chloro-4-pyridinyl)oxy]ethyl 4-carbamoylthiophene-2-carboxylate
CID 71907518

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-pyridinyl)oxy]propan-2-yl carbamate?
The IUPAC name of 1-[(2-chloro-4-pyridinyl)oxy]propan-2-yl carbamate (CID 175531201) is 1-[(2-chloro-4-pyridinyl)oxy]propan-2-yl carbamate.
What is the SMILES notation for 1-[(2-chloro-4-pyridinyl)oxy]propan-2-yl carbamate?
The canonical SMILES for 1-[(2-chloro-4-pyridinyl)oxy]propan-2-yl carbamate is CC(COc1ccnc(Cl)c1)OC(N)=O.
What is the InChIKey of 1-[(2-chloro-4-pyridinyl)oxy]propan-2-yl carbamate?
The InChIKey is WESSGBNAAQJYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c1-6(15-9(11)13)5-14-7-2-3-12-8(10)4-7/h2-4,6H,5H2,1H3,(H2,11,13).
What are the key properties of 1-[(2-chloro-4-pyridinyl)oxy]propan-2-yl carbamate?
1-[(2-chloro-4-pyridinyl)oxy]propan-2-yl carbamate has a molecular weight of 230.65 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-pyridinyl)oxy]propan-2-yl carbamate is sourced from PubChem (CID 175531201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).