[3-amino-4-bromo-6-(difluoromethyl)-2-pyridinyl]methanol

C7H7BrF2N2O — CID 130102056

IUPAC[3-amino-4-bromo-6-(difluoromethyl)-2-pyridinyl]methanol
SMILESNc1c(Br)cc(C(F)F)nc1CO
InChIInChI=1S/C7H7BrF2N2O/c8-3-1-4(7(9)10)12-5(2-13)6(3)11/h1,7,13H,2,11H2
InChIKeyXATUVJALSHYZAU-UHFFFAOYSA-N
MW253.05 g/mol
LogP1.86
Rot. Bonds2

About [3-amino-4-bromo-6-(difluoromethyl)-2-pyridinyl]methanol

[3-amino-4-bromo-6-(difluoromethyl)-2-pyridinyl]methanol (PubChem CID 130102056) has the molecular formula C7H7BrF2N2O and a molecular weight of 253.05 g/mol. Its IUPAC name is [3-amino-4-bromo-6-(difluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-amino-4-bromo-6-(difluoromethyl)-2-pyridinyl]methanol
PubChem CID130102056
Molecular FormulaC7H7BrF2N2O
Molecular Weight253.05 g/mol
Exact Mass251.97
IUPAC Name[3-amino-4-bromo-6-(difluoromethyl)-2-pyridinyl]methanol
SMILESNc1c(Br)cc(C(F)F)nc1CO
InChIInChI=1S/C7H7BrF2N2O/c8-3-1-4(7(9)10)12-5(2-13)6(3)11/h1,7,13H,2,11H2
InChIKeyXATUVJALSHYZAU-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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Related Compounds

(6-Bromopyridin-2-yl)methanol
CID 3517811
[6-(Trifluoromethyl)pyridin-2-yl]methanol
CID 14761464
1-(6-Bromopyridin-2-yl)-2,2,2-trifluoroethan-1-ol
CID 58335252
(4-Bromo-6-methylpyridin-2-yl)methanol
CID 67027007
(3-Amino-6-bromopyridin-2-yl)methanol
CID 71299881
(3-Bromo-6-fluoropyridin-2-yl)methanol
CID 75480758
(6-(Difluoromethyl)pyridin-2-yl)methanol
CID 84650853
(5-Amino-6-bromopyridin-2-yl)methanol
CID 130706057
3-Amino-6-(2-bromo-1-hydroxyethyl)-4-fluoropyridine-2-carbonitrile
CID 19851904
(6-Bromo-3-fluoropyridin-2-yl)methanol
CID 53485567
1-(6-Bromopyridin-2-yl)-2-fluoroethanol
CID 59525900
2-Pyridinemethanol, 4-bromo-6-(trifluoromethyl)-
CID 85875858

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-bromo-6-(difluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [3-amino-4-bromo-6-(difluoromethyl)-2-pyridinyl]methanol (CID 130102056) is [3-amino-4-bromo-6-(difluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [3-amino-4-bromo-6-(difluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [3-amino-4-bromo-6-(difluoromethyl)-2-pyridinyl]methanol is Nc1c(Br)cc(C(F)F)nc1CO.
What is the InChIKey of [3-amino-4-bromo-6-(difluoromethyl)-2-pyridinyl]methanol?
The InChIKey is XATUVJALSHYZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O/c8-3-1-4(7(9)10)12-5(2-13)6(3)11/h1,7,13H,2,11H2.
What are the key properties of [3-amino-4-bromo-6-(difluoromethyl)-2-pyridinyl]methanol?
[3-amino-4-bromo-6-(difluoromethyl)-2-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 [3-amino-4-bromo-6-(difluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 130102056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).