2-fluoro-6-(3-methylpyrazol-1-yl)aniline

C10H10FN3 — CID 62494293

IUPAC2-fluoro-6-(3-methylpyrazol-1-yl)aniline
SMILESCc1ccn(-c2cccc(F)c2N)n1
InChIInChI=1S/C10H10FN3/c1-7-5-6-14(13-7)9-4-2-3-8(11)10(9)12/h2-6H,12H2,1H3
InChIKeyZHIGYGNVKNSRPW-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.90
Rot. Bonds1

About 2-fluoro-6-(3-methylpyrazol-1-yl)aniline

2-fluoro-6-(3-methylpyrazol-1-yl)aniline (PubChem CID 62494293) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 2-fluoro-6-(3-methylpyrazol-1-yl)aniline.

Molecular Properties

Compound Name2-fluoro-6-(3-methylpyrazol-1-yl)aniline
PubChem CID62494293
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name2-fluoro-6-(3-methylpyrazol-1-yl)aniline
SMILESCc1ccn(-c2cccc(F)c2N)n1
InChIInChI=1S/C10H10FN3/c1-7-5-6-14(13-7)9-4-2-3-8(11)10(9)12/h2-6H,12H2,1H3
InChIKeyZHIGYGNVKNSRPW-UHFFFAOYSA-N
XLogP1.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-methylpyrazol-1-yl)aniline?
The IUPAC name of 2-fluoro-6-(3-methylpyrazol-1-yl)aniline (CID 62494293) is 2-fluoro-6-(3-methylpyrazol-1-yl)aniline.
What is the SMILES notation for 2-fluoro-6-(3-methylpyrazol-1-yl)aniline?
The canonical SMILES for 2-fluoro-6-(3-methylpyrazol-1-yl)aniline is Cc1ccn(-c2cccc(F)c2N)n1.
What is the InChIKey of 2-fluoro-6-(3-methylpyrazol-1-yl)aniline?
The InChIKey is ZHIGYGNVKNSRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c1-7-5-6-14(13-7)9-4-2-3-8(11)10(9)12/h2-6H,12H2,1H3.
What are the key properties of 2-fluoro-6-(3-methylpyrazol-1-yl)aniline?
2-fluoro-6-(3-methylpyrazol-1-yl)aniline has a molecular weight of 191.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-methylpyrazol-1-yl)aniline is sourced from PubChem (CID 62494293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).