[2-amino-5-bromo-3-(difluoromethyl)-4-pyridinyl]methanol

C7H7BrF2N2O — CID 130102040

IUPAC[2-amino-5-bromo-3-(difluoromethyl)-4-pyridinyl]methanol
SMILESNc1ncc(Br)c(CO)c1C(F)F
InChIInChI=1S/C7H7BrF2N2O/c8-4-1-12-7(11)5(6(9)10)3(4)2-13/h1,6,13H,2H2,(H2,11,12)
InChIKeyVZQAKAXBIHQNIG-UHFFFAOYSA-N
MW253.05 g/mol
LogP1.86
Rot. Bonds2

About [2-amino-5-bromo-3-(difluoromethyl)-4-pyridinyl]methanol

[2-amino-5-bromo-3-(difluoromethyl)-4-pyridinyl]methanol (PubChem CID 130102040) has the molecular formula C7H7BrF2N2O and a molecular weight of 253.05 g/mol. Its IUPAC name is [2-amino-5-bromo-3-(difluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-amino-5-bromo-3-(difluoromethyl)-4-pyridinyl]methanol
PubChem CID130102040
Molecular FormulaC7H7BrF2N2O
Molecular Weight253.05 g/mol
Exact Mass251.97
IUPAC Name[2-amino-5-bromo-3-(difluoromethyl)-4-pyridinyl]methanol
SMILESNc1ncc(Br)c(CO)c1C(F)F
InChIInChI=1S/C7H7BrF2N2O/c8-4-1-12-7(11)5(6(9)10)3(4)2-13/h1,6,13H,2H2,(H2,11,12)
InChIKeyVZQAKAXBIHQNIG-UHFFFAOYSA-N
XLogP1.86
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.05
LogP ≤ 51.86
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-(difluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [2-amino-5-bromo-3-(difluoromethyl)-4-pyridinyl]methanol (CID 130102040) is [2-amino-5-bromo-3-(difluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-amino-5-bromo-3-(difluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [2-amino-5-bromo-3-(difluoromethyl)-4-pyridinyl]methanol is Nc1ncc(Br)c(CO)c1C(F)F.
What is the InChIKey of [2-amino-5-bromo-3-(difluoromethyl)-4-pyridinyl]methanol?
The InChIKey is VZQAKAXBIHQNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O/c8-4-1-12-7(11)5(6(9)10)3(4)2-13/h1,6,13H,2H2,(H2,11,12).
What are the key properties of [2-amino-5-bromo-3-(difluoromethyl)-4-pyridinyl]methanol?
[2-amino-5-bromo-3-(difluoromethyl)-4-pyridinyl]methanol has a molecular weight of 253.05 g/mol, XLogP of 1.86, 2 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-(difluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 130102040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).