6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride

C7H8Cl2F3N3O — CID 175168012

IUPAC6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
SMILESCl.Cl.NNC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C7H6F3N3O.2ClH/c8-7(9,10)5-2-1-4(3-12-5)6(14)13-11;;/h1-3H,11H2,(H,13,14);2*1H
InChIKeyYJFBFECTDSKARY-UHFFFAOYSA-N
MW278.06 g/mol
LogP1.55
Rot. Bonds1

About 6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride

6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride (PubChem CID 175168012) has the molecular formula C7H8Cl2F3N3O and a molecular weight of 278.06 g/mol. Its IUPAC name is 6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride.

Molecular Properties

Compound Name6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
PubChem CID175168012
Molecular FormulaC7H8Cl2F3N3O
Molecular Weight278.06 g/mol
Exact Mass277.00
IUPAC Name6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
SMILESCl.Cl.NNC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C7H6F3N3O.2ClH/c8-7(9,10)5-2-1-4(3-12-5)6(14)13-11;;/h1-3H,11H2,(H,13,14);2*1H
InChIKeyYJFBFECTDSKARY-UHFFFAOYSA-N
XLogP1.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.06
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119570954
bis[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 87948655
N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 104872787
N-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 75399276
N-(1-amino-2,3-dimethylbutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119607870
N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 65193836
4-amino-4-oxo-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]butanoic acid
CID 43638813
3-hydroxy-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 43638815
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 107833571
N-[4-(hydroxymethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64794112
(2R)-3-hydroxy-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 80749875
N-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119667500

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride?
The IUPAC name of 6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride (CID 175168012) is 6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride.
What is the SMILES notation for 6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride?
The canonical SMILES for 6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride is Cl.Cl.NNC(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride?
The InChIKey is YJFBFECTDSKARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O.2ClH/c8-7(9,10)5-2-1-4(3-12-5)6(14)13-11;;/h1-3H,11H2,(H,13,14);2*1H.
What are the key properties of 6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride?
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride has a molecular weight of 278.06 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride is sourced from PubChem (CID 175168012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).