6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

C12H11F3N4 — CID 80920368

IUPAC6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESNNc1cccc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H11F3N4/c13-12(14,15)8-4-6-9(7-5-8)17-10-2-1-3-11(18-10)19-16/h1-7H,16H2,(H2,17,18,19)
InChIKeyBRCXAFPSEDRUAM-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.13
Rot. Bonds3

About 6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 80920368) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID80920368
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESNNc1cccc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H11F3N4/c13-12(14,15)8-4-6-9(7-5-8)17-10-2-1-3-11(18-10)19-16/h1-7H,16H2,(H2,17,18,19)
InChIKeyBRCXAFPSEDRUAM-UHFFFAOYSA-N
XLogP3.13
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.13
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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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (CID 80920368) is 6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is NNc1cccc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is BRCXAFPSEDRUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c13-12(14,15)8-4-6-9(7-5-8)17-10-2-1-3-11(18-10)19-16/h1-7H,16H2,(H2,17,18,19).
What are the key properties of 6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 268.24 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 80920368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).