tert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate

C11H15ClN2O3 — CID 138106122

IUPACtert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate
SMILESCOc1c(Cl)ccnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H15ClN2O3/c1-11(2,3)17-10(15)14-9-8(16-4)7(12)5-6-13-9/h5-6H,1-4H3,(H,13,14,15)
InChIKeyXEXHJDJDAGVMQR-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.09
Rot. Bonds2

About tert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate

tert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate (PubChem CID 138106122) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is tert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate
PubChem CID138106122
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Nametert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate
SMILESCOc1c(Cl)ccnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H15ClN2O3/c1-11(2,3)17-10(15)14-9-8(16-4)7(12)5-6-13-9/h5-6H,1-4H3,(H,13,14,15)
InChIKeyXEXHJDJDAGVMQR-UHFFFAOYSA-N
XLogP3.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(3,4-dichloro-2-pyridinyl)carbamate
CID 46318089
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-[2-(4-chloropyrrolo[2,3-b]pyridin-1-yl)phenyl]carbamate
CID 162351577
tert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)carbamate
CID 70964464
methyl N-(3-chloro-2-pyridinyl)carbamate
CID 103094493
tert-butyl N-[6-[1-(methylamino)ethyl]isoquinolin-1-yl]carbamate
CID 142471422
tert-butyl 4-[2-[4-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]ethynyl]piperidine-1-carboxylate
CID 90408676
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate (CID 138106122) is tert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate is COc1c(Cl)ccnc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate?
The InChIKey is XEXHJDJDAGVMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-11(2,3)17-10(15)14-9-8(16-4)7(12)5-6-13-9/h5-6H,1-4H3,(H,13,14,15).
What are the key properties of tert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate?
tert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate has a molecular weight of 258.70 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-chloro-3-methoxy-2-pyridinyl)carbamate is sourced from PubChem (CID 138106122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).