(5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid

C8H7BrN2O4 — CID 69045703

IUPAC(5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid
SMILESCc1cc(N(C(=O)O)C(=O)O)ncc1Br
InChIInChI=1S/C8H7BrN2O4/c1-4-2-6(10-3-5(4)9)11(7(12)13)8(14)15/h2-3H,1H3,(H,12,13)(H,14,15)
InChIKeyZIEQCFTXCXUJTB-UHFFFAOYSA-N
MW275.06 g/mol
LogP2.31
Rot. Bonds1

About (5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid

(5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid (PubChem CID 69045703) has the molecular formula C8H7BrN2O4 and a molecular weight of 275.06 g/mol. Its IUPAC name is (5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid.

Molecular Properties

Compound Name(5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid
PubChem CID69045703
Molecular FormulaC8H7BrN2O4
Molecular Weight275.06 g/mol
Exact Mass273.96
IUPAC Name(5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid
SMILESCc1cc(N(C(=O)O)C(=O)O)ncc1Br
InChIInChI=1S/C8H7BrN2O4/c1-4-2-6(10-3-5(4)9)11(7(12)13)8(14)15/h2-3H,1H3,(H,12,13)(H,14,15)
InChIKeyZIEQCFTXCXUJTB-UHFFFAOYSA-N
XLogP2.31
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.06
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-4-methyl-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 114869687
5-bromo-N-tert-butyl-N,4-dimethylpyridin-2-amine
CID 115147028
5-bromo-N-ethyl-N,4-dimethylpyridin-2-amine
CID 114870243
2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide
CID 115773945
2-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]-N-propan-2-ylacetamide
CID 115773860
ethyl 3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]propanoate
CID 115899127
3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid
CID 83901573
5-bromo-N-ethyl-4-methyl-N-phenylpyridin-2-amine
CID 114870215
(2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid
CID 131053081
2-[(5-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol
CID 115774139
(5-bromo-4-methyl-2-pyridinyl)sulfonyl-(1,3-thiazol-4-yl)carbamic acid
CID 146421754
5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine
CID 114870004

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid?
The IUPAC name of (5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid (CID 69045703) is (5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid.
What is the SMILES notation for (5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid?
The canonical SMILES for (5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid is Cc1cc(N(C(=O)O)C(=O)O)ncc1Br.
What is the InChIKey of (5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid?
The InChIKey is ZIEQCFTXCXUJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O4/c1-4-2-6(10-3-5(4)9)11(7(12)13)8(14)15/h2-3H,1H3,(H,12,13)(H,14,15).
What are the key properties of (5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid?
(5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid has a molecular weight of 275.06 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid is sourced from PubChem (CID 69045703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).