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

C8H9BrN2O2 — CID 118139687

IUPAC(5-bromo-3-methyl-2-pyridinyl)methylcarbamic acid
SMILESCc1cc(Br)cnc1CNC(=O)O
InChIInChI=1S/C8H9BrN2O2/c1-5-2-6(9)3-10-7(5)4-11-8(12)13/h2-3,11H,4H2,1H3,(H,12,13)
InChIKeyOBLVCWDZUWORKA-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.92
Rot. Bonds2

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

(5-bromo-3-methyl-2-pyridinyl)methylcarbamic acid (PubChem CID 118139687) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is (5-bromo-3-methyl-2-pyridinyl)methylcarbamic acid.

Molecular Properties

Compound Name(5-bromo-3-methyl-2-pyridinyl)methylcarbamic acid
PubChem CID118139687
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name(5-bromo-3-methyl-2-pyridinyl)methylcarbamic acid
SMILESCc1cc(Br)cnc1CNC(=O)O
InChIInChI=1S/C8H9BrN2O2/c1-5-2-6(9)3-10-7(5)4-11-8(12)13/h2-3,11H,4H2,1H3,(H,12,13)
InChIKeyOBLVCWDZUWORKA-UHFFFAOYSA-N
XLogP1.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyl-2-pyridinyl)methylcarbamic acid?
The IUPAC name of (5-bromo-3-methyl-2-pyridinyl)methylcarbamic acid (CID 118139687) is (5-bromo-3-methyl-2-pyridinyl)methylcarbamic acid.
What is the SMILES notation for (5-bromo-3-methyl-2-pyridinyl)methylcarbamic acid?
The canonical SMILES for (5-bromo-3-methyl-2-pyridinyl)methylcarbamic acid is Cc1cc(Br)cnc1CNC(=O)O.
What is the InChIKey of (5-bromo-3-methyl-2-pyridinyl)methylcarbamic acid?
The InChIKey is OBLVCWDZUWORKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-5-2-6(9)3-10-7(5)4-11-8(12)13/h2-3,11H,4H2,1H3,(H,12,13).
What are the key properties of (5-bromo-3-methyl-2-pyridinyl)methylcarbamic acid?
(5-bromo-3-methyl-2-pyridinyl)methylcarbamic acid has a molecular weight of 245.08 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyl-2-pyridinyl)methylcarbamic acid is sourced from PubChem (CID 118139687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).