1-(3-aminopropyl)-3-(trifluoromethyl)pyridin-2-one;hydrochloride

C9H12ClF3N2O — CID 131739538

IUPAC1-(3-aminopropyl)-3-(trifluoromethyl)pyridin-2-one;hydrochloride
SMILESCl.NCCCn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C9H11F3N2O.ClH/c10-9(11,12)7-3-1-5-14(8(7)15)6-2-4-13;/h1,3,5H,2,4,6,13H2;1H
InChIKeyMNUSKOPWGASZML-UHFFFAOYSA-N
MW256.65 g/mol
LogP1.64
Rot. Bonds3

About 1-(3-aminopropyl)-3-(trifluoromethyl)pyridin-2-one;hydrochloride

1-(3-aminopropyl)-3-(trifluoromethyl)pyridin-2-one;hydrochloride (PubChem CID 131739538) has the molecular formula C9H12ClF3N2O and a molecular weight of 256.65 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-(trifluoromethyl)pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-(trifluoromethyl)pyridin-2-one;hydrochloride
PubChem CID131739538
Molecular FormulaC9H12ClF3N2O
Molecular Weight256.65 g/mol
Exact Mass256.06
IUPAC Name1-(3-aminopropyl)-3-(trifluoromethyl)pyridin-2-one;hydrochloride
SMILESCl.NCCCn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C9H11F3N2O.ClH/c10-9(11,12)7-3-1-5-14(8(7)15)6-2-4-13;/h1,3,5H,2,4,6,13H2;1H
InChIKeyMNUSKOPWGASZML-UHFFFAOYSA-N
XLogP1.64
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.65
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Aminopropyl)-1,2-dihydropyridin-2-one
CID 572935
3-[2-Oxo-3-(trifluoromethyl)pyridin-1(2H)-yl]propanethioamide
CID 2746181
1-(3-Aminopropyl)-2(1H)-pyridinone hydrochloride
CID 43810793
3-[2-Oxo-5-(trifluoromethyl)pyridin-1-yl]propanamide
CID 17436445
1-(3-Aminopropyl)-3-(trifluoromethyl)pyridin-2-one
CID 59225309
1-(1,1,1-trifluoropropan-2-yl)-2H-pyridine-3-carboxamide
CID 66910956
3-Methyl-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one
CID 67345591
3-[2-Oxo-3-(trifluoromethyl)pyridin-1-yl]propylcarbamic acid
CID 68896418
1-(2-Methylpropyl)-3-(trifluoromethyl)pyridin-2-one
CID 70905371
1-(3-Aminopropyl)-5-fluoro-1,2-dihydropyridin-2-one
CID 82146483
3-[2-Oxo-3-(trifluoromethyl)-1-pyridinyl]-3-sulfanylpropanamide
CID 87907963
1-[3-(Chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one
CID 89092388

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-(trifluoromethyl)pyridin-2-one;hydrochloride?
The IUPAC name of 1-(3-aminopropyl)-3-(trifluoromethyl)pyridin-2-one;hydrochloride (CID 131739538) is 1-(3-aminopropyl)-3-(trifluoromethyl)pyridin-2-one;hydrochloride.
What is the SMILES notation for 1-(3-aminopropyl)-3-(trifluoromethyl)pyridin-2-one;hydrochloride?
The canonical SMILES for 1-(3-aminopropyl)-3-(trifluoromethyl)pyridin-2-one;hydrochloride is Cl.NCCCn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of 1-(3-aminopropyl)-3-(trifluoromethyl)pyridin-2-one;hydrochloride?
The InChIKey is MNUSKOPWGASZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O.ClH/c10-9(11,12)7-3-1-5-14(8(7)15)6-2-4-13;/h1,3,5H,2,4,6,13H2;1H.
What are the key properties of 1-(3-aminopropyl)-3-(trifluoromethyl)pyridin-2-one;hydrochloride?
1-(3-aminopropyl)-3-(trifluoromethyl)pyridin-2-one;hydrochloride has a molecular weight of 256.65 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-(trifluoromethyl)pyridin-2-one;hydrochloride is sourced from PubChem (CID 131739538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).