(4-amino-2-bromo-3-pyridinyl)methanol

C6H7BrN2O — CID 130730891

IUPAC(4-amino-2-bromo-3-pyridinyl)methanol
SMILESNc1ccnc(Br)c1CO
InChIInChI=1S/C6H7BrN2O/c7-6-4(3-10)5(8)1-2-9-6/h1-2,10H,3H2,(H2,8,9)
InChIKeySBSPUSGEEVCDAN-UHFFFAOYSA-N
MW203.04 g/mol
LogP0.92
Rot. Bonds1

About (4-amino-2-bromo-3-pyridinyl)methanol

(4-amino-2-bromo-3-pyridinyl)methanol (PubChem CID 130730891) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is (4-amino-2-bromo-3-pyridinyl)methanol.

Molecular Properties

Compound Name(4-amino-2-bromo-3-pyridinyl)methanol
PubChem CID130730891
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name(4-amino-2-bromo-3-pyridinyl)methanol
SMILESNc1ccnc(Br)c1CO
InChIInChI=1S/C6H7BrN2O/c7-6-4(3-10)5(8)1-2-9-6/h1-2,10H,3H2,(H2,8,9)
InChIKeySBSPUSGEEVCDAN-UHFFFAOYSA-N
XLogP0.92
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-bromo-3-pyridinyl)methanol?
The IUPAC name of (4-amino-2-bromo-3-pyridinyl)methanol (CID 130730891) is (4-amino-2-bromo-3-pyridinyl)methanol.
What is the SMILES notation for (4-amino-2-bromo-3-pyridinyl)methanol?
The canonical SMILES for (4-amino-2-bromo-3-pyridinyl)methanol is Nc1ccnc(Br)c1CO.
What is the InChIKey of (4-amino-2-bromo-3-pyridinyl)methanol?
The InChIKey is SBSPUSGEEVCDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c7-6-4(3-10)5(8)1-2-9-6/h1-2,10H,3H2,(H2,8,9).
What are the key properties of (4-amino-2-bromo-3-pyridinyl)methanol?
(4-amino-2-bromo-3-pyridinyl)methanol has a molecular weight of 203.04 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-bromo-3-pyridinyl)methanol is sourced from PubChem (CID 130730891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).