(2-fluoro-6-indazol-1-ylphenyl)methanamine

C14H12FN3 — CID 79517639

IUPAC(2-fluoro-6-indazol-1-ylphenyl)methanamine
SMILESNCc1c(F)cccc1-n1ncc2ccccc21
InChIInChI=1S/C14H12FN3/c15-12-5-3-7-14(11(12)8-16)18-13-6-2-1-4-10(13)9-17-18/h1-7,9H,8,16H2
InChIKeyXSAXBTXKCGVCIB-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.62
Rot. Bonds2

About (2-fluoro-6-indazol-1-ylphenyl)methanamine

(2-fluoro-6-indazol-1-ylphenyl)methanamine (PubChem CID 79517639) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is (2-fluoro-6-indazol-1-ylphenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-6-indazol-1-ylphenyl)methanamine
PubChem CID79517639
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name(2-fluoro-6-indazol-1-ylphenyl)methanamine
SMILESNCc1c(F)cccc1-n1ncc2ccccc21
InChIInChI=1S/C14H12FN3/c15-12-5-3-7-14(11(12)8-16)18-13-6-2-1-4-10(13)9-17-18/h1-7,9H,8,16H2
InChIKeyXSAXBTXKCGVCIB-UHFFFAOYSA-N
XLogP2.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-indazol-1-ylphenyl)methanamine?
The IUPAC name of (2-fluoro-6-indazol-1-ylphenyl)methanamine (CID 79517639) is (2-fluoro-6-indazol-1-ylphenyl)methanamine.
What is the SMILES notation for (2-fluoro-6-indazol-1-ylphenyl)methanamine?
The canonical SMILES for (2-fluoro-6-indazol-1-ylphenyl)methanamine is NCc1c(F)cccc1-n1ncc2ccccc21.
What is the InChIKey of (2-fluoro-6-indazol-1-ylphenyl)methanamine?
The InChIKey is XSAXBTXKCGVCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c15-12-5-3-7-14(11(12)8-16)18-13-6-2-1-4-10(13)9-17-18/h1-7,9H,8,16H2.
What are the key properties of (2-fluoro-6-indazol-1-ylphenyl)methanamine?
(2-fluoro-6-indazol-1-ylphenyl)methanamine has a molecular weight of 241.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-indazol-1-ylphenyl)methanamine is sourced from PubChem (CID 79517639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).