(2-amino-5-bromo-3-pyridinyl)-methylcarbamic acid

C7H8BrN3O2 — CID 155230760

IUPAC(2-amino-5-bromo-3-pyridinyl)-methylcarbamic acid
SMILESCN(C(=O)O)c1cc(Br)cnc1N
InChIInChI=1S/C7H8BrN3O2/c1-11(7(12)13)5-2-4(8)3-10-6(5)9/h2-3H,1H3,(H2,9,10)(H,12,13)
InChIKeyNILKVAZRGBLNOH-UHFFFAOYSA-N
MW246.06 g/mol
LogP1.54
Rot. Bonds1

About (2-amino-5-bromo-3-pyridinyl)-methylcarbamic acid

(2-amino-5-bromo-3-pyridinyl)-methylcarbamic acid (PubChem CID 155230760) has the molecular formula C7H8BrN3O2 and a molecular weight of 246.06 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)-methylcarbamic acid.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl)-methylcarbamic acid
PubChem CID155230760
Molecular FormulaC7H8BrN3O2
Molecular Weight246.06 g/mol
Exact Mass244.98
IUPAC Name(2-amino-5-bromo-3-pyridinyl)-methylcarbamic acid
SMILESCN(C(=O)O)c1cc(Br)cnc1N
InChIInChI=1S/C7H8BrN3O2/c1-11(7(12)13)5-2-4(8)3-10-6(5)9/h2-3H,1H3,(H2,9,10)(H,12,13)
InChIKeyNILKVAZRGBLNOH-UHFFFAOYSA-N
XLogP1.54
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)-methylcarbamic acid?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl)-methylcarbamic acid (CID 155230760) is (2-amino-5-bromo-3-pyridinyl)-methylcarbamic acid.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)-methylcarbamic acid?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)-methylcarbamic acid is CN(C(=O)O)c1cc(Br)cnc1N.
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)-methylcarbamic acid?
The InChIKey is NILKVAZRGBLNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O2/c1-11(7(12)13)5-2-4(8)3-10-6(5)9/h2-3H,1H3,(H2,9,10)(H,12,13).
What are the key properties of (2-amino-5-bromo-3-pyridinyl)-methylcarbamic acid?
(2-amino-5-bromo-3-pyridinyl)-methylcarbamic acid has a molecular weight of 246.06 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-3-pyridinyl)-methylcarbamic acid is sourced from PubChem (CID 155230760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).