1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone

C14H12F2N2O — CID 105412051

IUPAC1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone
SMILESNCc1cc(C(=O)Cc2cc(F)cc(F)c2)ccn1
InChIInChI=1S/C14H12F2N2O/c15-11-3-9(4-12(16)7-11)5-14(19)10-1-2-18-13(6-10)8-17/h1-4,6-7H,5,8,17H2
InChIKeyRFWQMQBNVCSBBW-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.24
Rot. Bonds4

About 1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone

1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone (PubChem CID 105412051) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone
PubChem CID105412051
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone
SMILESNCc1cc(C(=O)Cc2cc(F)cc(F)c2)ccn1
InChIInChI=1S/C14H12F2N2O/c15-11-3-9(4-12(16)7-11)5-14(19)10-1-2-18-13(6-10)8-17/h1-4,6-7H,5,8,17H2
InChIKeyRFWQMQBNVCSBBW-UHFFFAOYSA-N
XLogP2.24
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-4-pyridinyl]-2-(2-bromo-5-fluorophenyl)ethanone
CID 116601812
1-[2-(aminomethyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116601811
1-[2-(aminomethyl)-4-pyridinyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 116601932
1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 63409918
1-[2-(aminomethyl)-4-pyridinyl]-2-quinolin-4-ylethanone
CID 116601824
1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone
CID 116601798
2-(aminomethyl)pyridine-4-carboxamide;hydrochloride
CID 135395084
1-[2-(aminomethyl)-4-pyridinyl]hex-4-yn-1-one
CID 116602000
1-[2-(aminomethyl)-4-pyridinyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116601831
2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 114326448
1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116601864
2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone
CID 54959513

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone (CID 105412051) is 1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone is NCc1cc(C(=O)Cc2cc(F)cc(F)c2)ccn1.
What is the InChIKey of 1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone?
The InChIKey is RFWQMQBNVCSBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c15-11-3-9(4-12(16)7-11)5-14(19)10-1-2-18-13(6-10)8-17/h1-4,6-7H,5,8,17H2.
What are the key properties of 1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone?
1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone has a molecular weight of 262.26 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone is sourced from PubChem (CID 105412051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).