(2-amino-4-fluoro-3-methanimidoylphenyl)methanol

C8H9FN2O — CID 171807343

IUPAC(2-amino-4-fluoro-3-methanimidoylphenyl)methanol
SMILES[H]/N=C/c1c(F)ccc(CO)c1N
InChIInChI=1S/C8H9FN2O/c9-7-2-1-5(4-12)8(11)6(7)3-10/h1-3,10,12H,4,11H2/b10-3+
InChIKeyPAENONFRHNGVCV-XCVCLJGOSA-N
MW168.17 g/mol
LogP0.90
Rot. Bonds2

About (2-amino-4-fluoro-3-methanimidoylphenyl)methanol

(2-amino-4-fluoro-3-methanimidoylphenyl)methanol (PubChem CID 171807343) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is (2-amino-4-fluoro-3-methanimidoylphenyl)methanol.

Molecular Properties

Compound Name(2-amino-4-fluoro-3-methanimidoylphenyl)methanol
PubChem CID171807343
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name(2-amino-4-fluoro-3-methanimidoylphenyl)methanol
SMILES[H]/N=C/c1c(F)ccc(CO)c1N
InChIInChI=1S/C8H9FN2O/c9-7-2-1-5(4-12)8(11)6(7)3-10/h1-3,10,12H,4,11H2/b10-3+
InChIKeyPAENONFRHNGVCV-XCVCLJGOSA-N
XLogP0.90
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-fluoro-3-methanimidoylphenyl)methanol?
The IUPAC name of (2-amino-4-fluoro-3-methanimidoylphenyl)methanol (CID 171807343) is (2-amino-4-fluoro-3-methanimidoylphenyl)methanol.
What is the SMILES notation for (2-amino-4-fluoro-3-methanimidoylphenyl)methanol?
The canonical SMILES for (2-amino-4-fluoro-3-methanimidoylphenyl)methanol is [H]/N=C/c1c(F)ccc(CO)c1N.
What is the InChIKey of (2-amino-4-fluoro-3-methanimidoylphenyl)methanol?
The InChIKey is PAENONFRHNGVCV-XCVCLJGOSA-N. The full InChI is InChI=1S/C8H9FN2O/c9-7-2-1-5(4-12)8(11)6(7)3-10/h1-3,10,12H,4,11H2/b10-3+.
What are the key properties of (2-amino-4-fluoro-3-methanimidoylphenyl)methanol?
(2-amino-4-fluoro-3-methanimidoylphenyl)methanol has a molecular weight of 168.17 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-fluoro-3-methanimidoylphenyl)methanol is sourced from PubChem (CID 171807343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).