tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate

C11H13ClN2O3 — CID 123779338

IUPACtert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Cl)c(C=O)n1
InChIInChI=1S/C11H13ClN2O3/c1-11(2,3)17-10(16)14-9-5-4-7(12)8(6-15)13-9/h4-6H,1-3H3,(H,13,14,16)
InChIKeyUBEDHLURPZPCOU-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.89
Rot. Bonds2

About tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate

tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate (PubChem CID 123779338) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate
PubChem CID123779338
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Nametert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Cl)c(C=O)n1
InChIInChI=1S/C11H13ClN2O3/c1-11(2,3)17-10(16)14-9-5-4-7(12)8(6-15)13-9/h4-6H,1-3H3,(H,13,14,16)
InChIKeyUBEDHLURPZPCOU-UHFFFAOYSA-N
XLogP2.89
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
tert-butyl N-(6-chloro-2,4-diformyl-3-pyridinyl)carbamate
CID 134128965
tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate
CID 19358376
tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate
CID 135132369
tert-butyl N-(6-fluoro-5-iodo-2-pyridinyl)carbamate
CID 140956975
tert-butyl N-(5-bromo-6-methoxy-2-pyridinyl)carbamate
CID 156516754
tert-butyl N-(6-formyl-5-methoxypyridazin-3-yl)carbamate
CID 164537142
tert-butyl N-[(6-bromo-5-chloro-2-pyridinyl)amino]carbamate
CID 174657616
tert-butyl N-[7-[[3-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1,8-naphthyridin-2-yl]carbamoyl]benzoyl]amino]-1,8-naphthyridin-2-yl]carbamate
CID 102215304
tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate
CID 10681361
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[6-[(dimethylamino)methyl]-2-pyridinyl]carbamate
CID 178156276

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate (CID 123779338) is tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(Cl)c(C=O)n1.
What is the InChIKey of tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate?
The InChIKey is UBEDHLURPZPCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-11(2,3)17-10(16)14-9-5-4-7(12)8(6-15)13-9/h4-6H,1-3H3,(H,13,14,16).
What are the key properties of tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate?
tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate has a molecular weight of 256.69 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-chloro-6-formyl-2-pyridinyl)carbamate is sourced from PubChem (CID 123779338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).