(2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate

C10H12Cl2N2O2 — CID 57052459

IUPAC(2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(Cl)nc1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-3-14(4-2)10(15)16-7-5-6-8(11)13-9(7)12/h5-6H,3-4H2,1-2H3
InChIKeyNDVJSCKRANDIJE-UHFFFAOYSA-N
MW263.12 g/mol
LogP3.23
Rot. Bonds3

About (2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate

(2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate (PubChem CID 57052459) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is (2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate
PubChem CID57052459
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name(2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(Cl)nc1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-3-14(4-2)10(15)16-7-5-6-8(11)13-9(7)12/h5-6H,3-4H2,1-2H3
InChIKeyNDVJSCKRANDIJE-UHFFFAOYSA-N
XLogP3.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 53.23
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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Related Compounds

2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 106993258
(2,6-dichloro-4-formyl-3-pyridinyl) N,N-diethylcarbamate
CID 57114957
3-[(2,6-dichloro-3-pyridinyl)oxy]but-2-enoic acid
CID 71382631
(3-chloro-4-fluoro-2-methylphenyl) N,N-diethylcarbamate;ethane
CID 156722778
(5-chloroquinolin-8-yl) N,N-diethylcarbamate
CID 712597
(2,3-dihydroxyphenyl) N,N-diethylcarbamate
CID 131845695
(2-acetyl-3-chlorophenyl) N,N-diethylcarbamate
CID 10945491
methyl 3-(diethylcarbamoyloxy)pyridine-4-carboxylate
CID 58826959
ethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate
CID 122517620
[4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate
CID 122517612
2-[(6-bromo-2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
CID 12906196
2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
CID 113228634

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate?
The IUPAC name of (2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate (CID 57052459) is (2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate.
What is the SMILES notation for (2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate?
The canonical SMILES for (2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc(Cl)nc1Cl.
What is the InChIKey of (2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate?
The InChIKey is NDVJSCKRANDIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-3-14(4-2)10(15)16-7-5-6-8(11)13-9(7)12/h5-6H,3-4H2,1-2H3.
What are the key properties of (2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate?
(2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate has a molecular weight of 263.12 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate is sourced from PubChem (CID 57052459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).