[2-amino-5-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol

C12H7F5N2O — CID 133086551

IUPAC[2-amino-5-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol
SMILESNc1cc(CO)c(-c2c(F)c(F)c(F)c(F)c2F)cn1
InChIInChI=1S/C12H7F5N2O/c13-8-7(9(14)11(16)12(17)10(8)15)5-2-19-6(18)1-4(5)3-20/h1-2,20H,3H2,(H2,18,19)
InChIKeyLVTYSNSILPCHOL-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.52
Rot. Bonds2

About [2-amino-5-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol

[2-amino-5-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol (PubChem CID 133086551) has the molecular formula C12H7F5N2O and a molecular weight of 290.19 g/mol. Its IUPAC name is [2-amino-5-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-amino-5-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol
PubChem CID133086551
Molecular FormulaC12H7F5N2O
Molecular Weight290.19 g/mol
Exact Mass290.05
IUPAC Name[2-amino-5-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol
SMILESNc1cc(CO)c(-c2c(F)c(F)c(F)c(F)c2F)cn1
InChIInChI=1S/C12H7F5N2O/c13-8-7(9(14)11(16)12(17)10(8)15)5-2-19-6(18)1-4(5)3-20/h1-2,20H,3H2,(H2,18,19)
InChIKeyLVTYSNSILPCHOL-UHFFFAOYSA-N
XLogP2.52
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol?
The IUPAC name of [2-amino-5-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol (CID 133086551) is [2-amino-5-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-amino-5-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol?
The canonical SMILES for [2-amino-5-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol is Nc1cc(CO)c(-c2c(F)c(F)c(F)c(F)c2F)cn1.
What is the InChIKey of [2-amino-5-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol?
The InChIKey is LVTYSNSILPCHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F5N2O/c13-8-7(9(14)11(16)12(17)10(8)15)5-2-19-6(18)1-4(5)3-20/h1-2,20H,3H2,(H2,18,19).
What are the key properties of [2-amino-5-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol?
[2-amino-5-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol has a molecular weight of 290.19 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol is sourced from PubChem (CID 133086551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).