[5-amino-2-(2,3-difluorophenyl)-3-pyridinyl]methanol

C12H10F2N2O — CID 133086714

IUPAC[5-amino-2-(2,3-difluorophenyl)-3-pyridinyl]methanol
SMILESNc1cnc(-c2cccc(F)c2F)c(CO)c1
InChIInChI=1S/C12H10F2N2O/c13-10-3-1-2-9(11(10)14)12-7(6-17)4-8(15)5-16-12/h1-5,17H,6,15H2
InChIKeyYATDCEVCKCPKME-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.10
Rot. Bonds2

About [5-amino-2-(2,3-difluorophenyl)-3-pyridinyl]methanol

[5-amino-2-(2,3-difluorophenyl)-3-pyridinyl]methanol (PubChem CID 133086714) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is [5-amino-2-(2,3-difluorophenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-amino-2-(2,3-difluorophenyl)-3-pyridinyl]methanol
PubChem CID133086714
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name[5-amino-2-(2,3-difluorophenyl)-3-pyridinyl]methanol
SMILESNc1cnc(-c2cccc(F)c2F)c(CO)c1
InChIInChI=1S/C12H10F2N2O/c13-10-3-1-2-9(11(10)14)12-7(6-17)4-8(15)5-16-12/h1-5,17H,6,15H2
InChIKeyYATDCEVCKCPKME-UHFFFAOYSA-N
XLogP2.10
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(2,3-difluorophenyl)-3-pyridinyl]methanol?
The IUPAC name of [5-amino-2-(2,3-difluorophenyl)-3-pyridinyl]methanol (CID 133086714) is [5-amino-2-(2,3-difluorophenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-amino-2-(2,3-difluorophenyl)-3-pyridinyl]methanol?
The canonical SMILES for [5-amino-2-(2,3-difluorophenyl)-3-pyridinyl]methanol is Nc1cnc(-c2cccc(F)c2F)c(CO)c1.
What is the InChIKey of [5-amino-2-(2,3-difluorophenyl)-3-pyridinyl]methanol?
The InChIKey is YATDCEVCKCPKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c13-10-3-1-2-9(11(10)14)12-7(6-17)4-8(15)5-16-12/h1-5,17H,6,15H2.
What are the key properties of [5-amino-2-(2,3-difluorophenyl)-3-pyridinyl]methanol?
[5-amino-2-(2,3-difluorophenyl)-3-pyridinyl]methanol has a molecular weight of 236.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(2,3-difluorophenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 133086714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).