(2,4-difluorophenyl)-pyrimidin-5-ylmethanol

C11H8F2N2O — CID 63084368

IUPAC(2,4-difluorophenyl)-pyrimidin-5-ylmethanol
SMILESOC(c1cncnc1)c1ccc(F)cc1F
InChIInChI=1S/C11H8F2N2O/c12-8-1-2-9(10(13)3-8)11(16)7-4-14-6-15-5-7/h1-6,11,16H
InChIKeyLZUBEPQKMWVBKU-UHFFFAOYSA-N
MW222.19 g/mol
LogP1.84
Rot. Bonds2

About (2,4-difluorophenyl)-pyrimidin-5-ylmethanol

(2,4-difluorophenyl)-pyrimidin-5-ylmethanol (PubChem CID 63084368) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is (2,4-difluorophenyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(2,4-difluorophenyl)-pyrimidin-5-ylmethanol
PubChem CID63084368
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name(2,4-difluorophenyl)-pyrimidin-5-ylmethanol
SMILESOC(c1cncnc1)c1ccc(F)cc1F
InChIInChI=1S/C11H8F2N2O/c12-8-1-2-9(10(13)3-8)11(16)7-4-14-6-15-5-7/h1-6,11,16H
InChIKeyLZUBEPQKMWVBKU-UHFFFAOYSA-N
XLogP1.84
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminophenyl)-(2,4-difluorophenyl)methanol
CID 106695899
(2,4-difluorophenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63083868
(2,4-difluorophenyl)methanediol
CID 91089962
(2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol
CID 115781566
(2,4-difluorophenyl)-(5-methylfuran-3-yl)methanol
CID 114822277
(2,4-difluorophenyl)-naphthalen-2-ylmethanol
CID 61087912
(2,4-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707286
(2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 61100850
(2,4-difluorophenyl)-(5-methylpyrazin-2-yl)methanol
CID 105094711
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol
CID 81476067
(3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol
CID 62490525
(2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol
CID 115781644

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-pyrimidin-5-ylmethanol?
The IUPAC name of (2,4-difluorophenyl)-pyrimidin-5-ylmethanol (CID 63084368) is (2,4-difluorophenyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (2,4-difluorophenyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (2,4-difluorophenyl)-pyrimidin-5-ylmethanol is OC(c1cncnc1)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-pyrimidin-5-ylmethanol?
The InChIKey is LZUBEPQKMWVBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c12-8-1-2-9(10(13)3-8)11(16)7-4-14-6-15-5-7/h1-6,11,16H.
What are the key properties of (2,4-difluorophenyl)-pyrimidin-5-ylmethanol?
(2,4-difluorophenyl)-pyrimidin-5-ylmethanol has a molecular weight of 222.19 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 63084368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).