(2,6-dichloro-4-pyridinyl)methyl N,N-dimethylcarbamate

C9H10Cl2N2O2 — CID 2781831

IUPAC(2,6-dichloro-4-pyridinyl)methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H10Cl2N2O2/c1-13(2)9(14)15-5-6-3-7(10)12-8(11)4-6/h3-4H,5H2,1-2H3
InChIKeyMKRWDNUAFVKQDQ-UHFFFAOYSA-N
MW249.10 g/mol
LogP2.59
Rot. Bonds2

About (2,6-dichloro-4-pyridinyl)methyl N,N-dimethylcarbamate

(2,6-dichloro-4-pyridinyl)methyl N,N-dimethylcarbamate (PubChem CID 2781831) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is (2,6-dichloro-4-pyridinyl)methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name(2,6-dichloro-4-pyridinyl)methyl N,N-dimethylcarbamate
PubChem CID2781831
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Name(2,6-dichloro-4-pyridinyl)methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C9H10Cl2N2O2/c1-13(2)9(14)15-5-6-3-7(10)12-8(11)4-6/h3-4H,5H2,1-2H3
InChIKeyMKRWDNUAFVKQDQ-UHFFFAOYSA-N
XLogP2.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-pyridinyl)methyl N,N-dimethylcarbamate?
The IUPAC name of (2,6-dichloro-4-pyridinyl)methyl N,N-dimethylcarbamate (CID 2781831) is (2,6-dichloro-4-pyridinyl)methyl N,N-dimethylcarbamate.
What is the SMILES notation for (2,6-dichloro-4-pyridinyl)methyl N,N-dimethylcarbamate?
The canonical SMILES for (2,6-dichloro-4-pyridinyl)methyl N,N-dimethylcarbamate is CN(C)C(=O)OCc1cc(Cl)nc(Cl)c1.
What is the InChIKey of (2,6-dichloro-4-pyridinyl)methyl N,N-dimethylcarbamate?
The InChIKey is MKRWDNUAFVKQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c1-13(2)9(14)15-5-6-3-7(10)12-8(11)4-6/h3-4H,5H2,1-2H3.
What are the key properties of (2,6-dichloro-4-pyridinyl)methyl N,N-dimethylcarbamate?
(2,6-dichloro-4-pyridinyl)methyl N,N-dimethylcarbamate has a molecular weight of 249.10 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-pyridinyl)methyl N,N-dimethylcarbamate is sourced from PubChem (CID 2781831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).