2,3,5,6-tetrafluoro-N-[(6-methyl-2-pyridinyl)methyl]aniline

C13H10F4N2 — CID 107644377

IUPAC2,3,5,6-tetrafluoro-N-[(6-methyl-2-pyridinyl)methyl]aniline
SMILESCc1cccc(CNc2c(F)c(F)cc(F)c2F)n1
InChIInChI=1S/C13H10F4N2/c1-7-3-2-4-8(19-7)6-18-13-11(16)9(14)5-10(15)12(13)17/h2-5,18H,6H2,1H3
InChIKeyRQNLZMAFZMQZMG-UHFFFAOYSA-N
MW270.23 g/mol
LogP3.56
Rot. Bonds3

About 2,3,5,6-tetrafluoro-N-[(6-methyl-2-pyridinyl)methyl]aniline

2,3,5,6-tetrafluoro-N-[(6-methyl-2-pyridinyl)methyl]aniline (PubChem CID 107644377) has the molecular formula C13H10F4N2 and a molecular weight of 270.23 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[(6-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[(6-methyl-2-pyridinyl)methyl]aniline
PubChem CID107644377
Molecular FormulaC13H10F4N2
Molecular Weight270.23 g/mol
Exact Mass270.08
IUPAC Name2,3,5,6-tetrafluoro-N-[(6-methyl-2-pyridinyl)methyl]aniline
SMILESCc1cccc(CNc2c(F)c(F)cc(F)c2F)n1
InChIInChI=1S/C13H10F4N2/c1-7-3-2-4-8(19-7)6-18-13-11(16)9(14)5-10(15)12(13)17/h2-5,18H,6H2,1H3
InChIKeyRQNLZMAFZMQZMG-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-[(6-methyl-2-pyridinyl)methyl]-4-nitroaniline
CID 103828478
2,3,5,6-tetrafluoro-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 107644035
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79266900
6-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]pyridin-3-ol
CID 107643762
3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267863
N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 115767649
1-(4-bromo-2-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962307
N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 14280569
3-fluoro-4-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
CID 62711146
2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267407
1-(2-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 102876374

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[(6-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[(6-methyl-2-pyridinyl)methyl]aniline (CID 107644377) is 2,3,5,6-tetrafluoro-N-[(6-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[(6-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[(6-methyl-2-pyridinyl)methyl]aniline is Cc1cccc(CNc2c(F)c(F)cc(F)c2F)n1.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[(6-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is RQNLZMAFZMQZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2/c1-7-3-2-4-8(19-7)6-18-13-11(16)9(14)5-10(15)12(13)17/h2-5,18H,6H2,1H3.
What are the key properties of 2,3,5,6-tetrafluoro-N-[(6-methyl-2-pyridinyl)methyl]aniline?
2,3,5,6-tetrafluoro-N-[(6-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 270.23 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[(6-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 107644377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).