2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline

C13H9F5N2 — CID 60965717

IUPAC2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
SMILESCc1ccc(CNc2c(F)c(F)c(F)c(F)c2F)cn1
InChIInChI=1S/C13H9F5N2/c1-6-2-3-7(4-19-6)5-20-13-11(17)9(15)8(14)10(16)12(13)18/h2-4,20H,5H2,1H3
InChIKeyJZVPDDMQLPTVPU-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.70
Rot. Bonds3

About 2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline

2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline (PubChem CID 60965717) has the molecular formula C13H9F5N2 and a molecular weight of 288.22 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
PubChem CID60965717
Molecular FormulaC13H9F5N2
Molecular Weight288.22 g/mol
Exact Mass288.07
IUPAC Name2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
SMILESCc1ccc(CNc2c(F)c(F)c(F)c(F)c2F)cn1
InChIInChI=1S/C13H9F5N2/c1-6-2-3-7(4-19-6)5-20-13-11(17)9(15)8(14)10(16)12(13)18/h2-4,20H,5H2,1H3
InChIKeyJZVPDDMQLPTVPU-UHFFFAOYSA-N
XLogP3.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4,6-difluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104822073
5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 62995202
3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazin-2-amine
CID 83064247
3-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 62997267
4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104821802
2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104821823
2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 80695988
N-[(6-methyl-3-pyridinyl)methyl]quinoxalin-6-amine
CID 104821970
4-fluoro-5-iodo-2-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 66100710
4-bromo-5-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 66110547
5-methyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64982708
N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline
CID 104821896

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline (CID 60965717) is 2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline is Cc1ccc(CNc2c(F)c(F)c(F)c(F)c2F)cn1.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline?
The InChIKey is JZVPDDMQLPTVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F5N2/c1-6-2-3-7(4-19-6)5-20-13-11(17)9(15)8(14)10(16)12(13)18/h2-4,20H,5H2,1H3.
What are the key properties of 2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline?
2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline has a molecular weight of 288.22 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 60965717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).