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

C8H10F2N2O — CID 130106484

IUPAC[6-amino-3-(difluoromethyl)-2-methyl-4-pyridinyl]methanol
SMILESCc1nc(N)cc(CO)c1C(F)F
InChIInChI=1S/C8H10F2N2O/c1-4-7(8(9)10)5(3-13)2-6(11)12-4/h2,8,13H,3H2,1H3,(H2,11,12)
InChIKeyUBHKPHCBLHYVGT-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.40
Rot. Bonds2

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

[6-amino-3-(difluoromethyl)-2-methyl-4-pyridinyl]methanol (PubChem CID 130106484) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is [6-amino-3-(difluoromethyl)-2-methyl-4-pyridinyl]methanol.

Molecular Properties

Compound Name[6-amino-3-(difluoromethyl)-2-methyl-4-pyridinyl]methanol
PubChem CID130106484
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name[6-amino-3-(difluoromethyl)-2-methyl-4-pyridinyl]methanol
SMILESCc1nc(N)cc(CO)c1C(F)F
InChIInChI=1S/C8H10F2N2O/c1-4-7(8(9)10)5(3-13)2-6(11)12-4/h2,8,13H,3H2,1H3,(H2,11,12)
InChIKeyUBHKPHCBLHYVGT-UHFFFAOYSA-N
XLogP1.40
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-amino-3-(difluoromethyl)-2-methyl-4-pyridinyl]methanol?
The IUPAC name of [6-amino-3-(difluoromethyl)-2-methyl-4-pyridinyl]methanol (CID 130106484) is [6-amino-3-(difluoromethyl)-2-methyl-4-pyridinyl]methanol.
What is the SMILES notation for [6-amino-3-(difluoromethyl)-2-methyl-4-pyridinyl]methanol?
The canonical SMILES for [6-amino-3-(difluoromethyl)-2-methyl-4-pyridinyl]methanol is Cc1nc(N)cc(CO)c1C(F)F.
What is the InChIKey of [6-amino-3-(difluoromethyl)-2-methyl-4-pyridinyl]methanol?
The InChIKey is UBHKPHCBLHYVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-4-7(8(9)10)5(3-13)2-6(11)12-4/h2,8,13H,3H2,1H3,(H2,11,12).
What are the key properties of [6-amino-3-(difluoromethyl)-2-methyl-4-pyridinyl]methanol?
[6-amino-3-(difluoromethyl)-2-methyl-4-pyridinyl]methanol has a molecular weight of 188.18 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-3-(difluoromethyl)-2-methyl-4-pyridinyl]methanol is sourced from PubChem (CID 130106484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).