(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl-methylcarbamic acid

C9H9BrN4O2 — CID 68756865

IUPAC(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl-methylcarbamic acid
SMILESCN(Cc1nc2ncc(Br)cc2[nH]1)C(=O)O
InChIInChI=1S/C9H9BrN4O2/c1-14(9(15)16)4-7-12-6-2-5(10)3-11-8(6)13-7/h2-3H,4H2,1H3,(H,15,16)(H,11,12,13)
InChIKeyAOCUFSCAEIFTHR-UHFFFAOYSA-N
MW285.10 g/mol
LogP1.83
Rot. Bonds2

About (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl-methylcarbamic acid

(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl-methylcarbamic acid (PubChem CID 68756865) has the molecular formula C9H9BrN4O2 and a molecular weight of 285.10 g/mol. Its IUPAC name is (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl-methylcarbamic acid.

Molecular Properties

Compound Name(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl-methylcarbamic acid
PubChem CID68756865
Molecular FormulaC9H9BrN4O2
Molecular Weight285.10 g/mol
Exact Mass283.99
IUPAC Name(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl-methylcarbamic acid
SMILESCN(Cc1nc2ncc(Br)cc2[nH]1)C(=O)O
InChIInChI=1S/C9H9BrN4O2/c1-14(9(15)16)4-7-12-6-2-5(10)3-11-8(6)13-7/h2-3H,4H2,1H3,(H,15,16)(H,11,12,13)
InChIKeyAOCUFSCAEIFTHR-UHFFFAOYSA-N
XLogP1.83
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl-methylcarbamic acid?
The IUPAC name of (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl-methylcarbamic acid (CID 68756865) is (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl-methylcarbamic acid.
What is the SMILES notation for (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl-methylcarbamic acid?
The canonical SMILES for (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl-methylcarbamic acid is CN(Cc1nc2ncc(Br)cc2[nH]1)C(=O)O.
What is the InChIKey of (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl-methylcarbamic acid?
The InChIKey is AOCUFSCAEIFTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O2/c1-14(9(15)16)4-7-12-6-2-5(10)3-11-8(6)13-7/h2-3H,4H2,1H3,(H,15,16)(H,11,12,13).
What are the key properties of (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl-methylcarbamic acid?
(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl-methylcarbamic acid has a molecular weight of 285.10 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl-methylcarbamic acid is sourced from PubChem (CID 68756865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).