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

C11H8BrF2N3O — CID 114205166

IUPAC[2-(5-bromo-3-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(-c2cncc(Br)c2)nc1C(F)F
InChIInChI=1S/C11H8BrF2N3O/c12-8-1-6(2-15-4-8)11-16-3-7(5-18)9(17-11)10(13)14/h1-4,10,18H,5H2
InChIKeyOZANTICUQKYWAU-UHFFFAOYSA-N
MW316.11 g/mol
LogP2.73
Rot. Bonds3

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

[2-(5-bromo-3-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanol (PubChem CID 114205166) has the molecular formula C11H8BrF2N3O and a molecular weight of 316.11 g/mol. Its IUPAC name is [2-(5-bromo-3-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(5-bromo-3-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanol
PubChem CID114205166
Molecular FormulaC11H8BrF2N3O
Molecular Weight316.11 g/mol
Exact Mass314.98
IUPAC Name[2-(5-bromo-3-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanol
SMILESOCc1cnc(-c2cncc(Br)c2)nc1C(F)F
InChIInChI=1S/C11H8BrF2N3O/c12-8-1-6(2-15-4-8)11-16-3-7(5-18)9(17-11)10(13)14/h1-4,10,18H,5H2
InChIKeyOZANTICUQKYWAU-UHFFFAOYSA-N
XLogP2.73
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.11
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(difluoromethyl)-2-pyridin-4-ylpyrimidin-5-yl]methanol
CID 114205186
[4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol
CID 130482994
2-(5-bromo-3-pyridinyl)pyrimidine
CID 22735178
[4-(difluoromethyl)-2-(methylamino)pyrimidin-5-yl]methanol
CID 126974118
[4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol
CID 118845394
2-(5-bromo-3-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741288
ethyl 2-(5-bromo-3-pyridinyl)-4-chloropyrimidine-5-carboxylate
CID 114213781
[2-(azetidin-1-yl)-4-(difluoromethyl)pyrimidin-5-yl]methanol
CID 170542917
[5-bromo-4-(difluoromethyl)-3-pyridinyl]methanol
CID 130095199
ethyl 2-(5-bromo-3-pyridinyl)-4-(chloromethyl)pyrimidine-5-carboxylate
CID 102973426
(1S)-2-amino-1-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837133
[6-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol
CID 130068895

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-3-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanol?
The IUPAC name of [2-(5-bromo-3-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanol (CID 114205166) is [2-(5-bromo-3-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(5-bromo-3-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [2-(5-bromo-3-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanol is OCc1cnc(-c2cncc(Br)c2)nc1C(F)F.
What is the InChIKey of [2-(5-bromo-3-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanol?
The InChIKey is OZANTICUQKYWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3O/c12-8-1-6(2-15-4-8)11-16-3-7(5-18)9(17-11)10(13)14/h1-4,10,18H,5H2.
What are the key properties of [2-(5-bromo-3-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanol?
[2-(5-bromo-3-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanol has a molecular weight of 316.11 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-3-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 114205166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).