1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one;hydrochloride

C12H11ClF3N3O — CID 122517004

IUPAC1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one;hydrochloride
SMILESCl.NCc1cc(-n2ccccc2=O)nc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O.ClH/c13-12(14,15)9-5-8(7-16)6-10(17-9)18-4-2-1-3-11(18)19;/h1-6H,7,16H2;1H
InChIKeyNMXZQVVQUVOMHF-UHFFFAOYSA-N
MW305.69 g/mol
LogP2.13
Rot. Bonds2

About 1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one;hydrochloride

1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one;hydrochloride (PubChem CID 122517004) has the molecular formula C12H11ClF3N3O and a molecular weight of 305.69 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one;hydrochloride
PubChem CID122517004
Molecular FormulaC12H11ClF3N3O
Molecular Weight305.69 g/mol
Exact Mass305.05
IUPAC Name1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one;hydrochloride
SMILESCl.NCc1cc(-n2ccccc2=O)nc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O.ClH/c13-12(14,15)9-5-8(7-16)6-10(17-9)18-4-2-1-3-11(18)19;/h1-6H,7,16H2;1H
InChIKeyNMXZQVVQUVOMHF-UHFFFAOYSA-N
XLogP2.13
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)urea
CID 934768
1-Benzyl-3-(6-methylpyridin-2-yl)urea
CID 16764115
2-(3-Amino-6-methyl-2-oxo-4-trifluoromethyl-2H-pyridin-1-yl)-N-(6-amino-2-methyl-pyridin-3-ylmethyl)-acetamide
CID 44289570
1-[[2-(dipropylamino)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
CID 162663342
5,7-dimethyl-1,8-naphthyridin-2(1H)-one
CID 5374405
4-(Methylamino)-1-phenyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
CID 148686497
4-[(2,2-difluoroethyl)amino]-7-methyl-1-phenylpyrido[2,3-d]pyrimidin-2(1H)-one
CID 153608218
7-methyl-1-phenyl-4-[(2,2,2-trifluoro-ethyl)amino]pyrido[2,3-d]pyrimidin-2(1H)-one
CID 153608390
1-(2-hydroxypyridin-4-yl)-4-(methyl-amino)-7-(trifluoromethyl)-pyrido[2,3-d]pyrimidin-2(1H)-one
CID 153608766
1-benzyl-4-(methylamino)-7-(trifluoro-methyl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 153608883
4-((2,2-difluoroethyl)amino)-1-phenyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 153608919
1-phenyl-4-((2,2,2-trifluoroethyl)amino)-7-(trifluoromethyl)pyrido[2,3-d]-pyrimidin-2(1H)-one
CID 153609070

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one;hydrochloride?
The IUPAC name of 1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one;hydrochloride (CID 122517004) is 1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one;hydrochloride.
What is the SMILES notation for 1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one;hydrochloride?
The canonical SMILES for 1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one;hydrochloride is Cl.NCc1cc(-n2ccccc2=O)nc(C(F)(F)F)c1.
What is the InChIKey of 1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one;hydrochloride?
The InChIKey is NMXZQVVQUVOMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O.ClH/c13-12(14,15)9-5-8(7-16)6-10(17-9)18-4-2-1-3-11(18)19;/h1-6H,7,16H2;1H.
What are the key properties of 1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one;hydrochloride?
1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one;hydrochloride has a molecular weight of 305.69 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one;hydrochloride is sourced from PubChem (CID 122517004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).