chloroethane;(1-methyl-2H-pyridin-2-yl) carbamate

C9H15ClN2O2 — CID 174798434

IUPACchloroethane;(1-methyl-2H-pyridin-2-yl) carbamate
SMILESCCCl.CN1C=CC=CC1OC(N)=O
InChIInChI=1S/C7H10N2O2.C2H5Cl/c1-9-5-3-2-4-6(9)11-7(8)10;1-2-3/h2-6H,1H3,(H2,8,10);2H2,1H3
InChIKeyBZJJMLXAPZZEOT-UHFFFAOYSA-N
MW218.68 g/mol
LogP1.67
Rot. Bonds1

About chloroethane;(1-methyl-2H-pyridin-2-yl) carbamate

chloroethane;(1-methyl-2H-pyridin-2-yl) carbamate (PubChem CID 174798434) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is chloroethane;(1-methyl-2H-pyridin-2-yl) carbamate.

Molecular Properties

Compound Namechloroethane;(1-methyl-2H-pyridin-2-yl) carbamate
PubChem CID174798434
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Namechloroethane;(1-methyl-2H-pyridin-2-yl) carbamate
SMILESCCCl.CN1C=CC=CC1OC(N)=O
InChIInChI=1S/C7H10N2O2.C2H5Cl/c1-9-5-3-2-4-6(9)11-7(8)10;1-2-3/h2-6H,1H3,(H2,8,10);2H2,1H3
InChIKeyBZJJMLXAPZZEOT-UHFFFAOYSA-N
XLogP1.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloroethane;(1-methyl-2H-pyridin-2-yl) carbamate?
The IUPAC name of chloroethane;(1-methyl-2H-pyridin-2-yl) carbamate (CID 174798434) is chloroethane;(1-methyl-2H-pyridin-2-yl) carbamate.
What is the SMILES notation for chloroethane;(1-methyl-2H-pyridin-2-yl) carbamate?
The canonical SMILES for chloroethane;(1-methyl-2H-pyridin-2-yl) carbamate is CCCl.CN1C=CC=CC1OC(N)=O.
What is the InChIKey of chloroethane;(1-methyl-2H-pyridin-2-yl) carbamate?
The InChIKey is BZJJMLXAPZZEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.C2H5Cl/c1-9-5-3-2-4-6(9)11-7(8)10;1-2-3/h2-6H,1H3,(H2,8,10);2H2,1H3.
What are the key properties of chloroethane;(1-methyl-2H-pyridin-2-yl) carbamate?
chloroethane;(1-methyl-2H-pyridin-2-yl) carbamate has a molecular weight of 218.68 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethane;(1-methyl-2H-pyridin-2-yl) carbamate is sourced from PubChem (CID 174798434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).