tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate

C10H12Cl2N2O2 — CID 46318089

IUPACtert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nccc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-10(2,3)16-9(15)14-8-7(12)6(11)4-5-13-8/h4-5H,1-3H3,(H,13,14,15)
InChIKeyGOYRULDGADITLD-UHFFFAOYSA-N
MW263.12 g/mol
LogP3.74
Rot. Bonds1

About tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate

tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate (PubChem CID 46318089) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate
PubChem CID46318089
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Nametert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1nccc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-10(2,3)16-9(15)14-8-7(12)6(11)4-5-13-8/h4-5H,1-3H3,(H,13,14,15)
InChIKeyGOYRULDGADITLD-UHFFFAOYSA-N
XLogP3.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(3,4-dichloro-2-pyridinyl)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

tert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate
CID 138106122
tert-butyl N-[4-chloro-3-(2-cyclopropyl-2,2-difluoro-1-hydroxyethyl)-2-pyridinyl]carbamate
CID 178041763
tert-butyl N-[4-chloro-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]ethynyl]-2-pyridinyl]carbamate
CID 131733114
tert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate
CID 70964464
tert-butyl 4-[2-[4-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]ethynyl]piperidine-1-carboxylate
CID 90408676
tert-butyl N-[4-(4-chloro-2-methylphenyl)-3-ethenyl-2-pyridinyl]carbamate
CID 122696483
tert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate
CID 20624434
tert-butyl N-[4-chloro-3-[2-(1-methylpiperidin-3-yl)ethynyl]-2-pyridinyl]carbamate
CID 90419814
tert-butyl N-(3-bromo-1H-pyrrolo[3,2-c]pyridin-4-yl)carbamate
CID 59341159
tert-butyl N-[3-[(1S)-1-bromoethyl]-2-pyridinyl]carbamate
CID 125458489
5-(2,3-dichlorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid
CID 175390897
tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate
CID 102540666

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate (CID 46318089) is tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1nccc(Cl)c1Cl.
What is the InChIKey of tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate?
The InChIKey is GOYRULDGADITLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-10(2,3)16-9(15)14-8-7(12)6(11)4-5-13-8/h4-5H,1-3H3,(H,13,14,15).
What are the key properties of tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate?
tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate has a molecular weight of 263.12 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate is sourced from PubChem (CID 46318089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).