phenyl N-(4-fluoro-1H-indazol-3-yl)carbamate

C14H10FN3O2 — CID 110472442

IUPACphenyl N-(4-fluoro-1H-indazol-3-yl)carbamate
SMILESO=C(Nc1n[nH]c2cccc(F)c12)Oc1ccccc1
InChIInChI=1S/C14H10FN3O2/c15-10-7-4-8-11-12(10)13(18-17-11)16-14(19)20-9-5-2-1-3-6-9/h1-8H,(H2,16,17,18,19)
InChIKeyKQGOKRPQINDCJQ-UHFFFAOYSA-N
MW271.25 g/mol
LogP3.31
Rot. Bonds2

About phenyl N-(4-fluoro-1H-indazol-3-yl)carbamate

phenyl N-(4-fluoro-1H-indazol-3-yl)carbamate (PubChem CID 110472442) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is phenyl N-(4-fluoro-1H-indazol-3-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-fluoro-1H-indazol-3-yl)carbamate
PubChem CID110472442
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Namephenyl N-(4-fluoro-1H-indazol-3-yl)carbamate
SMILESO=C(Nc1n[nH]c2cccc(F)c12)Oc1ccccc1
InChIInChI=1S/C14H10FN3O2/c15-10-7-4-8-11-12(10)13(18-17-11)16-14(19)20-9-5-2-1-3-6-9/h1-8H,(H2,16,17,18,19)
InChIKeyKQGOKRPQINDCJQ-UHFFFAOYSA-N
XLogP3.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-fluoro-1H-indazol-3-yl)carbamate?
The IUPAC name of phenyl N-(4-fluoro-1H-indazol-3-yl)carbamate (CID 110472442) is phenyl N-(4-fluoro-1H-indazol-3-yl)carbamate.
What is the SMILES notation for phenyl N-(4-fluoro-1H-indazol-3-yl)carbamate?
The canonical SMILES for phenyl N-(4-fluoro-1H-indazol-3-yl)carbamate is O=C(Nc1n[nH]c2cccc(F)c12)Oc1ccccc1.
What is the InChIKey of phenyl N-(4-fluoro-1H-indazol-3-yl)carbamate?
The InChIKey is KQGOKRPQINDCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-10-7-4-8-11-12(10)13(18-17-11)16-14(19)20-9-5-2-1-3-6-9/h1-8H,(H2,16,17,18,19).
What are the key properties of phenyl N-(4-fluoro-1H-indazol-3-yl)carbamate?
phenyl N-(4-fluoro-1H-indazol-3-yl)carbamate has a molecular weight of 271.25 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-fluoro-1H-indazol-3-yl)carbamate is sourced from PubChem (CID 110472442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).