2-fluoro-6-[(1H-indazol-4-ylamino)methyl]phenol

C14H12FN3O — CID 112606607

IUPAC2-fluoro-6-[(1H-indazol-4-ylamino)methyl]phenol
SMILESOc1c(F)cccc1CNc1cccc2[nH]ncc12
InChIInChI=1S/C14H12FN3O/c15-11-4-1-3-9(14(11)19)7-16-12-5-2-6-13-10(12)8-17-18-13/h1-6,8,16,19H,7H2,(H,17,18)
InChIKeyMNVRIQLPKQMOHD-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.02
Rot. Bonds3

About 2-fluoro-6-[(1H-indazol-4-ylamino)methyl]phenol

2-fluoro-6-[(1H-indazol-4-ylamino)methyl]phenol (PubChem CID 112606607) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-fluoro-6-[(1H-indazol-4-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[(1H-indazol-4-ylamino)methyl]phenol
PubChem CID112606607
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name2-fluoro-6-[(1H-indazol-4-ylamino)methyl]phenol
SMILESOc1c(F)cccc1CNc1cccc2[nH]ncc12
InChIInChI=1S/C14H12FN3O/c15-11-4-1-3-9(14(11)19)7-16-12-5-2-6-13-10(12)8-17-18-13/h1-6,8,16,19H,7H2,(H,17,18)
InChIKeyMNVRIQLPKQMOHD-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(1H-indazol-4-ylamino)methyl]phenol?
The IUPAC name of 2-fluoro-6-[(1H-indazol-4-ylamino)methyl]phenol (CID 112606607) is 2-fluoro-6-[(1H-indazol-4-ylamino)methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[(1H-indazol-4-ylamino)methyl]phenol?
The canonical SMILES for 2-fluoro-6-[(1H-indazol-4-ylamino)methyl]phenol is Oc1c(F)cccc1CNc1cccc2[nH]ncc12.
What is the InChIKey of 2-fluoro-6-[(1H-indazol-4-ylamino)methyl]phenol?
The InChIKey is MNVRIQLPKQMOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-11-4-1-3-9(14(11)19)7-16-12-5-2-6-13-10(12)8-17-18-13/h1-6,8,16,19H,7H2,(H,17,18).
What are the key properties of 2-fluoro-6-[(1H-indazol-4-ylamino)methyl]phenol?
2-fluoro-6-[(1H-indazol-4-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 2-fluoro-6-[(1H-indazol-4-ylamino)methyl]phenol is sourced from PubChem (CID 112606607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).