tert-butyl N-(4-chloro-3-fluoro-2-pyridinyl)-N-methylcarbamate

C11H14ClFN2O2 — CID 152843772

IUPACtert-butyl N-(4-chloro-3-fluoro-2-pyridinyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1nccc(Cl)c1F
InChIInChI=1S/C11H14ClFN2O2/c1-11(2,3)17-10(16)15(4)9-8(13)7(12)5-6-14-9/h5-6H,1-4H3
InChIKeySZPUQVUCZZINEO-UHFFFAOYSA-N
MW260.70 g/mol
LogP3.25
Rot. Bonds1

About tert-butyl N-(4-chloro-3-fluoro-2-pyridinyl)-N-methylcarbamate

tert-butyl N-(4-chloro-3-fluoro-2-pyridinyl)-N-methylcarbamate (PubChem CID 152843772) has the molecular formula C11H14ClFN2O2 and a molecular weight of 260.70 g/mol. Its IUPAC name is tert-butyl N-(4-chloro-3-fluoro-2-pyridinyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(4-chloro-3-fluoro-2-pyridinyl)-N-methylcarbamate
PubChem CID152843772
Molecular FormulaC11H14ClFN2O2
Molecular Weight260.70 g/mol
Exact Mass260.07
IUPAC Nametert-butyl N-(4-chloro-3-fluoro-2-pyridinyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1nccc(Cl)c1F
InChIInChI=1S/C11H14ClFN2O2/c1-11(2,3)17-10(16)15(4)9-8(13)7(12)5-6-14-9/h5-6H,1-4H3
InChIKeySZPUQVUCZZINEO-UHFFFAOYSA-N
XLogP3.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-methyl-2-pyridinyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 174161572
tert-butyl N-[3-(bromomethyl)-2-pyridinyl]-N-methylcarbamate
CID 141274850
tert-butyl N-imidazo[1,2-a]pyrazin-8-yl-N-methylcarbamate
CID 141203596
tert-butyl N-[4-(bromomethyl)-3-fluoro-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 174161634
tert-butyl N-methyl-N-(2,3,4,5,6-pentafluorophenyl)carbamate
CID 172558948
tert-butyl N-(4-chloropyrimidin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 75529918
tert-butyl N-(6-fluoro-2-pyridinyl)-N-methylcarbamate
CID 101072166
tert-butyl N-(4-acetyl-2-pyridinyl)-N-methylcarbamate
CID 70946479
tert-butyl N-(2,6-difluoro-4-pyridinyl)-N-methylcarbamate
CID 177301285
tert-butyl N-(3,6-dichloro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 146285398
tert-butyl N-(2-cyanopyrimidin-4-yl)-N-methylcarbamate
CID 23625857
tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate
CID 150785471

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-chloro-3-fluoro-2-pyridinyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(4-chloro-3-fluoro-2-pyridinyl)-N-methylcarbamate (CID 152843772) is tert-butyl N-(4-chloro-3-fluoro-2-pyridinyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(4-chloro-3-fluoro-2-pyridinyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(4-chloro-3-fluoro-2-pyridinyl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1nccc(Cl)c1F.
What is the InChIKey of tert-butyl N-(4-chloro-3-fluoro-2-pyridinyl)-N-methylcarbamate?
The InChIKey is SZPUQVUCZZINEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2/c1-11(2,3)17-10(16)15(4)9-8(13)7(12)5-6-14-9/h5-6H,1-4H3.
What are the key properties of tert-butyl N-(4-chloro-3-fluoro-2-pyridinyl)-N-methylcarbamate?
tert-butyl N-(4-chloro-3-fluoro-2-pyridinyl)-N-methylcarbamate has a molecular weight of 260.70 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-chloro-3-fluoro-2-pyridinyl)-N-methylcarbamate is sourced from PubChem (CID 152843772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).