1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-6-methyl-2H-pyridin-3-ol

C11H18F2N2O — CID 141299363

IUPAC1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-6-methyl-2H-pyridin-3-ol
SMILESCC1=CC=C(O)C(CN(C)C)N1CC(F)F
InChIInChI=1S/C11H18F2N2O/c1-8-4-5-10(16)9(6-14(2)3)15(8)7-11(12)13/h4-5,9,11,16H,6-7H2,1-3H3
InChIKeyXZUFYIZQVJPQOS-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.84
Rot. Bonds4

About 1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-6-methyl-2H-pyridin-3-ol

1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-6-methyl-2H-pyridin-3-ol (PubChem CID 141299363) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-6-methyl-2H-pyridin-3-ol.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-6-methyl-2H-pyridin-3-ol
PubChem CID141299363
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-6-methyl-2H-pyridin-3-ol
SMILESCC1=CC=C(O)C(CN(C)C)N1CC(F)F
InChIInChI=1S/C11H18F2N2O/c1-8-4-5-10(16)9(6-14(2)3)15(8)7-11(12)13/h4-5,9,11,16H,6-7H2,1-3H3
InChIKeyXZUFYIZQVJPQOS-UHFFFAOYSA-N
XLogP1.84
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(difluoromethyl)-2-ethyl-1-methyl-2H-pyridin-3-ol
CID 141220732
6-(difluoromethyl)-1,2-dimethyl-2H-pyridin-3-ol
CID 141220741
1,2-dimethyl-6-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol
CID 141220747
2-[(dimethylamino)methyl]-1-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol
CID 141299345
2-[(dimethylamino)methyl]-6-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridin-3-ol
CID 141299351
1-methyl-2-[2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethyl]-2H-pyridin-3-ol
CID 141299369

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-6-methyl-2H-pyridin-3-ol?
The IUPAC name of 1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-6-methyl-2H-pyridin-3-ol (CID 141299363) is 1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-6-methyl-2H-pyridin-3-ol.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-6-methyl-2H-pyridin-3-ol?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-6-methyl-2H-pyridin-3-ol is CC1=CC=C(O)C(CN(C)C)N1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-6-methyl-2H-pyridin-3-ol?
The InChIKey is XZUFYIZQVJPQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c1-8-4-5-10(16)9(6-14(2)3)15(8)7-11(12)13/h4-5,9,11,16H,6-7H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-6-methyl-2H-pyridin-3-ol?
1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-6-methyl-2H-pyridin-3-ol has a molecular weight of 232.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-[(dimethylamino)methyl]-6-methyl-2H-pyridin-3-ol is sourced from PubChem (CID 141299363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).