4-fluoro-2-[(1H-indazol-5-ylamino)methyl]phenol

C14H12FN3O — CID 103947897

IUPAC4-fluoro-2-[(1H-indazol-5-ylamino)methyl]phenol
SMILESOc1ccc(F)cc1CNc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H12FN3O/c15-11-1-4-14(19)10(5-11)7-16-12-2-3-13-9(6-12)8-17-18-13/h1-6,8,16,19H,7H2,(H,17,18)
InChIKeyXIYVOUNOCBDGLD-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.02
Rot. Bonds3

About 4-fluoro-2-[(1H-indazol-5-ylamino)methyl]phenol

4-fluoro-2-[(1H-indazol-5-ylamino)methyl]phenol (PubChem CID 103947897) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 4-fluoro-2-[(1H-indazol-5-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(1H-indazol-5-ylamino)methyl]phenol
PubChem CID103947897
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name4-fluoro-2-[(1H-indazol-5-ylamino)methyl]phenol
SMILESOc1ccc(F)cc1CNc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H12FN3O/c15-11-1-4-14(19)10(5-11)7-16-12-2-3-13-9(6-12)8-17-18-13/h1-6,8,16,19H,7H2,(H,17,18)
InChIKeyXIYVOUNOCBDGLD-UHFFFAOYSA-N
XLogP3.02
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1H-indazol-5-ylimino)methyl]-4-methylphenol
CID 795025
4-Bromo-2-[(1H-indazol-5-ylimino)-methyl]-phenol
CID 795026
4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-1H-indazol-5-ol
CID 162643640
3-[4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazol-6-yl]phenol
CID 164621474
4-(1H-indazol-6-yl)phenol
CID 136301774
2-fluoro-4-(1H-indazol-6-yl)phenol
CID 145956264
3-[[3-[(1H-Indazol-5-yl)amino]piperidin-1-yl]methyl]phenol
CID 57446049
5-[[3-[(1H-Indazol-5-yl)amino]piperidin-1-yl]methyl]-2-methylphenol
CID 57446053
5-[[3-[(1H-Indazol-5-yl)amino]piperidin-1-yl]methyl]-2-iodophenol
CID 57446060
4-(1H-indazol-6-yl)-2-methylphenol
CID 145950269
3-fluoro-4-(1H-indazol-6-yl)phenol
CID 145957742
4-[[[6-(trifluoromethyl)-1H-indazol-4-yl]amino]methyl]phenol
CID 168295313

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(1H-indazol-5-ylamino)methyl]phenol?
The IUPAC name of 4-fluoro-2-[(1H-indazol-5-ylamino)methyl]phenol (CID 103947897) is 4-fluoro-2-[(1H-indazol-5-ylamino)methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[(1H-indazol-5-ylamino)methyl]phenol?
The canonical SMILES for 4-fluoro-2-[(1H-indazol-5-ylamino)methyl]phenol is Oc1ccc(F)cc1CNc1ccc2[nH]ncc2c1.
What is the InChIKey of 4-fluoro-2-[(1H-indazol-5-ylamino)methyl]phenol?
The InChIKey is XIYVOUNOCBDGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-11-1-4-14(19)10(5-11)7-16-12-2-3-13-9(6-12)8-17-18-13/h1-6,8,16,19H,7H2,(H,17,18).
What are the key properties of 4-fluoro-2-[(1H-indazol-5-ylamino)methyl]phenol?
4-fluoro-2-[(1H-indazol-5-ylamino)methyl]phenol has a molecular weight of 257.27 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(1H-indazol-5-ylamino)methyl]phenol is sourced from PubChem (CID 103947897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).