4-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid

C11H13BrN2O4 — CID 175667065

IUPAC4-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1c(Br)ccnc1C(=O)O
InChIInChI=1S/C11H13BrN2O4/c1-11(2,3)18-10(17)14-7-6(12)4-5-13-8(7)9(15)16/h4-5H,1-3H3,(H,14,17)(H,15,16)
InChIKeyMOEGWHCMHNZQRM-UHFFFAOYSA-N
MW317.14 g/mol
LogP2.89
Rot. Bonds2

About 4-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid

4-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid (PubChem CID 175667065) has the molecular formula C11H13BrN2O4 and a molecular weight of 317.14 g/mol. Its IUPAC name is 4-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
PubChem CID175667065
Molecular FormulaC11H13BrN2O4
Molecular Weight317.14 g/mol
Exact Mass316.01
IUPAC Name4-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1c(Br)ccnc1C(=O)O
InChIInChI=1S/C11H13BrN2O4/c1-11(2,3)18-10(17)14-7-6(12)4-5-13-8(7)9(15)16/h4-5H,1-3H3,(H,14,17)(H,15,16)
InChIKeyMOEGWHCMHNZQRM-UHFFFAOYSA-N
XLogP2.89
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 165494210
4-bromo-3-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 167731486
tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 65143138
tert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate
CID 173234410
tert-butyl N-(6-bromo-3-methoxy-2-methylphenyl)carbamate
CID 156869532
tert-butyl N-(2-bromo-3-fluoro-4-pyridinyl)carbamate
CID 118295548
tert-butyl N-(3-bromo-1H-pyrrolo[3,2-c]pyridin-4-yl)carbamate
CID 59341159
tert-butyl N-[4-amino-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 118902581
tert-butyl N-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)carbamate
CID 178072489
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
CID 75487739
tert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate
CID 83854419
tert-butyl N-(7-bromoquinolin-4-yl)carbamate
CID 71742953

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid?
The IUPAC name of 4-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid (CID 175667065) is 4-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid is CC(C)(C)OC(=O)Nc1c(Br)ccnc1C(=O)O.
What is the InChIKey of 4-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid?
The InChIKey is MOEGWHCMHNZQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O4/c1-11(2,3)18-10(17)14-7-6(12)4-5-13-8(7)9(15)16/h4-5H,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 4-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid?
4-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid has a molecular weight of 317.14 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 175667065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).