3-[[5-fluoro-2-(trifluoromethyl)phenyl]-hydrazinylmethyl]pyridin-2-amine

C13H12F4N4 — CID 105257625

IUPAC3-[[5-fluoro-2-(trifluoromethyl)phenyl]-hydrazinylmethyl]pyridin-2-amine
SMILESNNC(c1cc(F)ccc1C(F)(F)F)c1cccnc1N
InChIInChI=1S/C13H12F4N4/c14-7-3-4-10(13(15,16)17)9(6-7)11(21-19)8-2-1-5-20-12(8)18/h1-6,11,21H,19H2,(H2,18,20)
InChIKeyHXZJCRMBBDJGKP-UHFFFAOYSA-N
MW300.26 g/mol
LogP2.37
Rot. Bonds3

About 3-[[5-fluoro-2-(trifluoromethyl)phenyl]-hydrazinylmethyl]pyridin-2-amine

3-[[5-fluoro-2-(trifluoromethyl)phenyl]-hydrazinylmethyl]pyridin-2-amine (PubChem CID 105257625) has the molecular formula C13H12F4N4 and a molecular weight of 300.26 g/mol. Its IUPAC name is 3-[[5-fluoro-2-(trifluoromethyl)phenyl]-hydrazinylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[5-fluoro-2-(trifluoromethyl)phenyl]-hydrazinylmethyl]pyridin-2-amine
PubChem CID105257625
Molecular FormulaC13H12F4N4
Molecular Weight300.26 g/mol
Exact Mass300.10
IUPAC Name3-[[5-fluoro-2-(trifluoromethyl)phenyl]-hydrazinylmethyl]pyridin-2-amine
SMILESNNC(c1cc(F)ccc1C(F)(F)F)c1cccnc1N
InChIInChI=1S/C13H12F4N4/c14-7-3-4-10(13(15,16)17)9(6-7)11(21-19)8-2-1-5-20-12(8)18/h1-6,11,21H,19H2,(H2,18,20)
InChIKeyHXZJCRMBBDJGKP-UHFFFAOYSA-N
XLogP2.37
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2-fluorophenyl)-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105257606
[(4-chlorophenyl)-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105257620
[(3-chlorophenyl)-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105257671
3-[hydrazinyl(naphthalen-1-yl)methyl]pyridin-2-amine
CID 105213234
3-[furan-3-yl(hydrazinyl)methyl]pyridin-2-amine
CID 105221322
3-[(3,5-dichlorophenyl)-hydrazinylmethyl]pyridin-2-amine
CID 107918402
[(3-chloro-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 103445745
[1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-methylpropyl]hydrazine
CID 105257619
3-[(3-bromo-2-pyridinyl)-hydrazinylmethyl]pyridin-2-amine
CID 105268078
3-[(4-ethylphenyl)-hydrazinylmethyl]pyridin-2-amine
CID 105197382
3-[(2-chloro-4-pyridinyl)-hydrazinylmethyl]pyridin-2-amine
CID 105252731
3-[1-hydrazinyl-2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine
CID 105235141

Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-2-(trifluoromethyl)phenyl]-hydrazinylmethyl]pyridin-2-amine?
The IUPAC name of 3-[[5-fluoro-2-(trifluoromethyl)phenyl]-hydrazinylmethyl]pyridin-2-amine (CID 105257625) is 3-[[5-fluoro-2-(trifluoromethyl)phenyl]-hydrazinylmethyl]pyridin-2-amine.
What is the SMILES notation for 3-[[5-fluoro-2-(trifluoromethyl)phenyl]-hydrazinylmethyl]pyridin-2-amine?
The canonical SMILES for 3-[[5-fluoro-2-(trifluoromethyl)phenyl]-hydrazinylmethyl]pyridin-2-amine is NNC(c1cc(F)ccc1C(F)(F)F)c1cccnc1N.
What is the InChIKey of 3-[[5-fluoro-2-(trifluoromethyl)phenyl]-hydrazinylmethyl]pyridin-2-amine?
The InChIKey is HXZJCRMBBDJGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N4/c14-7-3-4-10(13(15,16)17)9(6-7)11(21-19)8-2-1-5-20-12(8)18/h1-6,11,21H,19H2,(H2,18,20).
What are the key properties of 3-[[5-fluoro-2-(trifluoromethyl)phenyl]-hydrazinylmethyl]pyridin-2-amine?
3-[[5-fluoro-2-(trifluoromethyl)phenyl]-hydrazinylmethyl]pyridin-2-amine has a molecular weight of 300.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-2-(trifluoromethyl)phenyl]-hydrazinylmethyl]pyridin-2-amine is sourced from PubChem (CID 105257625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).