5-fluoro-2-[[(6-fluoro-1H-indazol-3-yl)amino]methyl]phenol

C14H11F2N3O — CID 164613475

IUPAC5-fluoro-2-[[(6-fluoro-1H-indazol-3-yl)amino]methyl]phenol
SMILESOc1cc(F)ccc1CNc1n[nH]c2cc(F)ccc12
InChIInChI=1S/C14H11F2N3O/c15-9-3-4-11-12(5-9)18-19-14(11)17-7-8-1-2-10(16)6-13(8)20/h1-6,20H,7H2,(H2,17,18,19)
InChIKeyMTEAONJXGZAKSW-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.16
Rot. Bonds3

About 5-fluoro-2-[[(6-fluoro-1H-indazol-3-yl)amino]methyl]phenol

5-fluoro-2-[[(6-fluoro-1H-indazol-3-yl)amino]methyl]phenol (PubChem CID 164613475) has the molecular formula C14H11F2N3O and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-fluoro-2-[[(6-fluoro-1H-indazol-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[[(6-fluoro-1H-indazol-3-yl)amino]methyl]phenol
PubChem CID164613475
Molecular FormulaC14H11F2N3O
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name5-fluoro-2-[[(6-fluoro-1H-indazol-3-yl)amino]methyl]phenol
SMILESOc1cc(F)ccc1CNc1n[nH]c2cc(F)ccc12
InChIInChI=1S/C14H11F2N3O/c15-9-3-4-11-12(5-9)18-19-14(11)17-7-8-1-2-10(16)6-13(8)20/h1-6,20H,7H2,(H2,17,18,19)
InChIKeyMTEAONJXGZAKSW-UHFFFAOYSA-N
XLogP3.16
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.16
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

4-(3-((1H-indazol-5-yl)amino)-1H-pyrazol-5-yl)-2-fluorophenol
CID 139391755
4-[3-(cyclopropylmethylamino)-1H-indazol-6-yl]phenol
CID 137639211
N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]acetamide
CID 137656444
6-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine
CID 164621773
2-(1H-indazol-3-yliminomethyl)phenol
CID 2804985
N-[(4-methoxyphenyl)methyl]-1H-indazol-3-amine
CID 155510532
2-{[4-(3-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]methyl}phenol
CID 49667936
2-fluoro-4-[3-(2-fluoro-4-hydroxyanilino)-1H-pyrazol-5-yl]phenol
CID 139391905
2-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]phenol
CID 139392046
3-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]phenol
CID 139394026
2-fluoro-4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol
CID 139405423
4-[4-fluoro-3-(3-fluoro-4-methylanilino)-1H-pyrazol-5-yl]phenol
CID 139405562

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[(6-fluoro-1H-indazol-3-yl)amino]methyl]phenol?
The IUPAC name of 5-fluoro-2-[[(6-fluoro-1H-indazol-3-yl)amino]methyl]phenol (CID 164613475) is 5-fluoro-2-[[(6-fluoro-1H-indazol-3-yl)amino]methyl]phenol.
What is the SMILES notation for 5-fluoro-2-[[(6-fluoro-1H-indazol-3-yl)amino]methyl]phenol?
The canonical SMILES for 5-fluoro-2-[[(6-fluoro-1H-indazol-3-yl)amino]methyl]phenol is Oc1cc(F)ccc1CNc1n[nH]c2cc(F)ccc12.
What is the InChIKey of 5-fluoro-2-[[(6-fluoro-1H-indazol-3-yl)amino]methyl]phenol?
The InChIKey is MTEAONJXGZAKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O/c15-9-3-4-11-12(5-9)18-19-14(11)17-7-8-1-2-10(16)6-13(8)20/h1-6,20H,7H2,(H2,17,18,19).
What are the key properties of 5-fluoro-2-[[(6-fluoro-1H-indazol-3-yl)amino]methyl]phenol?
5-fluoro-2-[[(6-fluoro-1H-indazol-3-yl)amino]methyl]phenol has a molecular weight of 275.26 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[(6-fluoro-1H-indazol-3-yl)amino]methyl]phenol is sourced from PubChem (CID 164613475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).