[4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]methanol

C11H9ClFN3O — CID 22060480

IUPAC[4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]methanol
SMILESOCc1ccc(Nc2nc(Cl)ncc2F)cc1
InChIInChI=1S/C11H9ClFN3O/c12-11-14-5-9(13)10(16-11)15-8-3-1-7(6-17)2-4-8/h1-5,17H,6H2,(H,14,15,16)
InChIKeyLONUOFCYMLRXMH-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.51
Rot. Bonds3

About [4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]methanol

[4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]methanol (PubChem CID 22060480) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is [4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]methanol
PubChem CID22060480
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name[4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]methanol
SMILESOCc1ccc(Nc2nc(Cl)ncc2F)cc1
InChIInChI=1S/C11H9ClFN3O/c12-11-14-5-9(13)10(16-11)15-8-3-1-7(6-17)2-4-8/h1-5,17H,6H2,(H,14,15,16)
InChIKeyLONUOFCYMLRXMH-UHFFFAOYSA-N
XLogP2.51
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]methanol?
The IUPAC name of [4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]methanol (CID 22060480) is [4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]methanol.
What is the SMILES notation for [4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]methanol?
The canonical SMILES for [4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]methanol is OCc1ccc(Nc2nc(Cl)ncc2F)cc1.
What is the InChIKey of [4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]methanol?
The InChIKey is LONUOFCYMLRXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c12-11-14-5-9(13)10(16-11)15-8-3-1-7(6-17)2-4-8/h1-5,17H,6H2,(H,14,15,16).
What are the key properties of [4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]methanol?
[4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]methanol has a molecular weight of 253.66 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]methanol is sourced from PubChem (CID 22060480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).