[4-(difluoromethyl)-2-pyridin-4-ylpyrimidin-5-yl]methanol

C11H9F2N3O — CID 114205186

IUPAC[4-(difluoromethyl)-2-pyridin-4-ylpyrimidin-5-yl]methanol
SMILESOCc1cnc(-c2ccncc2)nc1C(F)F
InChIInChI=1S/C11H9F2N3O/c12-10(13)9-8(6-17)5-15-11(16-9)7-1-3-14-4-2-7/h1-5,10,17H,6H2
InChIKeySAVXOVCSXHSIGG-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.97
Rot. Bonds3

About [4-(difluoromethyl)-2-pyridin-4-ylpyrimidin-5-yl]methanol

[4-(difluoromethyl)-2-pyridin-4-ylpyrimidin-5-yl]methanol (PubChem CID 114205186) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-pyridin-4-ylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-pyridin-4-ylpyrimidin-5-yl]methanol
PubChem CID114205186
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name[4-(difluoromethyl)-2-pyridin-4-ylpyrimidin-5-yl]methanol
SMILESOCc1cnc(-c2ccncc2)nc1C(F)F
InChIInChI=1S/C11H9F2N3O/c12-10(13)9-8(6-17)5-15-11(16-9)7-1-3-14-4-2-7/h1-5,10,17H,6H2
InChIKeySAVXOVCSXHSIGG-UHFFFAOYSA-N
XLogP1.97
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-pyridin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 114205003
[2-(5-bromo-3-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanol
CID 114205166
4-(difluoromethyl)-2-pyridin-4-ylpyrimidine-5-carboxylic acid
CID 62891095
[4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol
CID 126974118
5-(bromomethyl)-4-(difluoromethyl)-2-(3-methyl-4-pyridinyl)pyrimidine
CID 114205896
[4-(difluoromethyl)-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]methanol
CID 114205178
5-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 21404719
[3-(difluoromethyl)-4-pyridinyl]methanol
CID 130094486
[2-(azetidin-1-yl)-4-(difluoromethyl)pyrimidin-5-yl]methanol
CID 170542917
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 37134678
(2-fluoro-5-pyridin-4-ylphenyl)methanol
CID 46315613
4-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidine
CID 130210346

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-pyridin-4-ylpyrimidin-5-yl]methanol?
The IUPAC name of [4-(difluoromethyl)-2-pyridin-4-ylpyrimidin-5-yl]methanol (CID 114205186) is [4-(difluoromethyl)-2-pyridin-4-ylpyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-2-pyridin-4-ylpyrimidin-5-yl]methanol?
The canonical SMILES for [4-(difluoromethyl)-2-pyridin-4-ylpyrimidin-5-yl]methanol is OCc1cnc(-c2ccncc2)nc1C(F)F.
What is the InChIKey of [4-(difluoromethyl)-2-pyridin-4-ylpyrimidin-5-yl]methanol?
The InChIKey is SAVXOVCSXHSIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c12-10(13)9-8(6-17)5-15-11(16-9)7-1-3-14-4-2-7/h1-5,10,17H,6H2.
What are the key properties of [4-(difluoromethyl)-2-pyridin-4-ylpyrimidin-5-yl]methanol?
[4-(difluoromethyl)-2-pyridin-4-ylpyrimidin-5-yl]methanol has a molecular weight of 237.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-pyridin-4-ylpyrimidin-5-yl]methanol is sourced from PubChem (CID 114205186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).