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

C10H10FN3 — CID 107602827

IUPAC2-fluoro-6-(2-methylpyrazol-3-yl)aniline
SMILESCn1nccc1-c1cccc(F)c1N
InChIInChI=1S/C10H10FN3/c1-14-9(5-6-13-14)7-3-2-4-8(11)10(7)12/h2-6H,12H2,1H3
InChIKeySDMQOKAMQUNFCE-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.81
Rot. Bonds1

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

2-fluoro-6-(2-methylpyrazol-3-yl)aniline (PubChem CID 107602827) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 2-fluoro-6-(2-methylpyrazol-3-yl)aniline.

Molecular Properties

Compound Name2-fluoro-6-(2-methylpyrazol-3-yl)aniline
PubChem CID107602827
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name2-fluoro-6-(2-methylpyrazol-3-yl)aniline
SMILESCn1nccc1-c1cccc(F)c1N
InChIInChI=1S/C10H10FN3/c1-14-9(5-6-13-14)7-3-2-4-8(11)10(7)12/h2-6H,12H2,1H3
InChIKeySDMQOKAMQUNFCE-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chloro-6-fluorophenyl)-1-methylpyrazole
CID 175129840
[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine
CID 81447352
[4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine
CID 63962017
[4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride
CID 171393057
2,4-difluoro-6-(2-methylpyrazol-3-yl)phenol
CID 2804884
2-fluoro-6-(3-fluoro-2-methylphenyl)aniline
CID 107602875
7-(2-methylpyrazol-3-yl)-1,3-benzoxazole
CID 166273345
1-methyl-5-(4-methylthiophen-3-yl)pyrazole
CID 89104490
2-(1-ethylimidazol-2-yl)-6-fluoroaniline
CID 107602831
4-tert-butyl-2-(2-methylpyrazol-3-yl)aniline
CID 135331486
3-amino-4,6-bis(2-methylpyrazol-3-yl)pyridine-2-carbonitrile
CID 168948384
1-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole
CID 165474584

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-methylpyrazol-3-yl)aniline?
The IUPAC name of 2-fluoro-6-(2-methylpyrazol-3-yl)aniline (CID 107602827) is 2-fluoro-6-(2-methylpyrazol-3-yl)aniline.
What is the SMILES notation for 2-fluoro-6-(2-methylpyrazol-3-yl)aniline?
The canonical SMILES for 2-fluoro-6-(2-methylpyrazol-3-yl)aniline is Cn1nccc1-c1cccc(F)c1N.
What is the InChIKey of 2-fluoro-6-(2-methylpyrazol-3-yl)aniline?
The InChIKey is SDMQOKAMQUNFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c1-14-9(5-6-13-14)7-3-2-4-8(11)10(7)12/h2-6H,12H2,1H3.
What are the key properties of 2-fluoro-6-(2-methylpyrazol-3-yl)aniline?
2-fluoro-6-(2-methylpyrazol-3-yl)aniline has a molecular weight of 191.21 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-methylpyrazol-3-yl)aniline is sourced from PubChem (CID 107602827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).