(4-amino-2-bromo-1H-pyridin-2-yl)methanol

C6H9BrN2O — CID 142672845

IUPAC(4-amino-2-bromo-1H-pyridin-2-yl)methanol
SMILESNC1=CC(Br)(CO)NC=C1
InChIInChI=1S/C6H9BrN2O/c7-6(4-10)3-5(8)1-2-9-6/h1-3,9-10H,4,8H2
InChIKeyRUOHIEZYPUUNRO-UHFFFAOYSA-N
MW205.06 g/mol
LogP0.03
Rot. Bonds1

About (4-amino-2-bromo-1H-pyridin-2-yl)methanol

(4-amino-2-bromo-1H-pyridin-2-yl)methanol (PubChem CID 142672845) has the molecular formula C6H9BrN2O and a molecular weight of 205.06 g/mol. Its IUPAC name is (4-amino-2-bromo-1H-pyridin-2-yl)methanol.

Molecular Properties

Compound Name(4-amino-2-bromo-1H-pyridin-2-yl)methanol
PubChem CID142672845
Molecular FormulaC6H9BrN2O
Molecular Weight205.06 g/mol
Exact Mass203.99
IUPAC Name(4-amino-2-bromo-1H-pyridin-2-yl)methanol
SMILESNC1=CC(Br)(CO)NC=C1
InChIInChI=1S/C6H9BrN2O/c7-6(4-10)3-5(8)1-2-9-6/h1-3,9-10H,4,8H2
InChIKeyRUOHIEZYPUUNRO-UHFFFAOYSA-N
XLogP0.03
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.06
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-bromo-1H-pyridin-2-yl)methanol?
The IUPAC name of (4-amino-2-bromo-1H-pyridin-2-yl)methanol (CID 142672845) is (4-amino-2-bromo-1H-pyridin-2-yl)methanol.
What is the SMILES notation for (4-amino-2-bromo-1H-pyridin-2-yl)methanol?
The canonical SMILES for (4-amino-2-bromo-1H-pyridin-2-yl)methanol is NC1=CC(Br)(CO)NC=C1.
What is the InChIKey of (4-amino-2-bromo-1H-pyridin-2-yl)methanol?
The InChIKey is RUOHIEZYPUUNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O/c7-6(4-10)3-5(8)1-2-9-6/h1-3,9-10H,4,8H2.
What are the key properties of (4-amino-2-bromo-1H-pyridin-2-yl)methanol?
(4-amino-2-bromo-1H-pyridin-2-yl)methanol has a molecular weight of 205.06 g/mol, XLogP of 0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-bromo-1H-pyridin-2-yl)methanol is sourced from PubChem (CID 142672845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).