2-methylbutan-2-yl 5-bromo-4-(ethoxycarbonylamino)pyridine-2-carboxylate

C14H19BrN2O4 — CID 143146128

IUPAC2-methylbutan-2-yl 5-bromo-4-(ethoxycarbonylamino)pyridine-2-carboxylate
SMILESCCOC(=O)Nc1cc(C(=O)OC(C)(C)CC)ncc1Br
InChIInChI=1S/C14H19BrN2O4/c1-5-14(3,4)21-12(18)11-7-10(9(15)8-16-11)17-13(19)20-6-2/h7-8H,5-6H2,1-4H3,(H,16,17,19)
InChIKeyUMUUSVHVIHSIOQ-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.76
Rot. Bonds5

About 2-methylbutan-2-yl 5-bromo-4-(ethoxycarbonylamino)pyridine-2-carboxylate

2-methylbutan-2-yl 5-bromo-4-(ethoxycarbonylamino)pyridine-2-carboxylate (PubChem CID 143146128) has the molecular formula C14H19BrN2O4 and a molecular weight of 359.22 g/mol. Its IUPAC name is 2-methylbutan-2-yl 5-bromo-4-(ethoxycarbonylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Name2-methylbutan-2-yl 5-bromo-4-(ethoxycarbonylamino)pyridine-2-carboxylate
PubChem CID143146128
Molecular FormulaC14H19BrN2O4
Molecular Weight359.22 g/mol
Exact Mass358.05
IUPAC Name2-methylbutan-2-yl 5-bromo-4-(ethoxycarbonylamino)pyridine-2-carboxylate
SMILESCCOC(=O)Nc1cc(C(=O)OC(C)(C)CC)ncc1Br
InChIInChI=1S/C14H19BrN2O4/c1-5-14(3,4)21-12(18)11-7-10(9(15)8-16-11)17-13(19)20-6-2/h7-8H,5-6H2,1-4H3,(H,16,17,19)
InChIKeyUMUUSVHVIHSIOQ-UHFFFAOYSA-N
XLogP3.76
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 5-bromo-4-methylpyridine-2-carboxylate
CID 131612137
ethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate
CID 67086431
ethyl N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate
CID 64592207
ethyl N-(5-bromo-2,4-difluorophenyl)carbamate
CID 102855180
ethyl N-(4-bromo-2-pyridinyl)carbamate
CID 102820649
ethyl 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 58563500
ethyl 2-[(2-bromo-5-methylphenyl)carbamoyl]-3,3-dimethylbutanoate
CID 116538239
ethyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 60651437
ethyl N-(2,4-diamino-5-methylphenyl)carbamate
CID 154351383
4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate
CID 23171065
ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate
CID 134113322
methyl 5-bromo-6-(ethoxycarbonylcarbamothioylamino)pyridine-3-carboxylate
CID 138491332

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 5-bromo-4-(ethoxycarbonylamino)pyridine-2-carboxylate?
The IUPAC name of 2-methylbutan-2-yl 5-bromo-4-(ethoxycarbonylamino)pyridine-2-carboxylate (CID 143146128) is 2-methylbutan-2-yl 5-bromo-4-(ethoxycarbonylamino)pyridine-2-carboxylate.
What is the SMILES notation for 2-methylbutan-2-yl 5-bromo-4-(ethoxycarbonylamino)pyridine-2-carboxylate?
The canonical SMILES for 2-methylbutan-2-yl 5-bromo-4-(ethoxycarbonylamino)pyridine-2-carboxylate is CCOC(=O)Nc1cc(C(=O)OC(C)(C)CC)ncc1Br.
What is the InChIKey of 2-methylbutan-2-yl 5-bromo-4-(ethoxycarbonylamino)pyridine-2-carboxylate?
The InChIKey is UMUUSVHVIHSIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O4/c1-5-14(3,4)21-12(18)11-7-10(9(15)8-16-11)17-13(19)20-6-2/h7-8H,5-6H2,1-4H3,(H,16,17,19).
What are the key properties of 2-methylbutan-2-yl 5-bromo-4-(ethoxycarbonylamino)pyridine-2-carboxylate?
2-methylbutan-2-yl 5-bromo-4-(ethoxycarbonylamino)pyridine-2-carboxylate has a molecular weight of 359.22 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 5-bromo-4-(ethoxycarbonylamino)pyridine-2-carboxylate is sourced from PubChem (CID 143146128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).