4-fluoro-2-(pyridin-3-ylmethyl)aniline

C12H11FN2 — CID 105454248

IUPAC4-fluoro-2-(pyridin-3-ylmethyl)aniline
SMILESNc1ccc(F)cc1Cc1cccnc1
InChIInChI=1S/C12H11FN2/c13-11-3-4-12(14)10(7-11)6-9-2-1-5-15-8-9/h1-5,7-8H,6,14H2
InChIKeyGMFHVAWMIDUSHK-UHFFFAOYSA-N
MW202.23 g/mol
LogP2.39
Rot. Bonds2

About 4-fluoro-2-(pyridin-3-ylmethyl)aniline

4-fluoro-2-(pyridin-3-ylmethyl)aniline (PubChem CID 105454248) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 4-fluoro-2-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(pyridin-3-ylmethyl)aniline
PubChem CID105454248
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name4-fluoro-2-(pyridin-3-ylmethyl)aniline
SMILESNc1ccc(F)cc1Cc1cccnc1
InChIInChI=1S/C12H11FN2/c13-11-3-4-12(14)10(7-11)6-9-2-1-5-15-8-9/h1-5,7-8H,6,14H2
InChIKeyGMFHVAWMIDUSHK-UHFFFAOYSA-N
XLogP2.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-difluoro-2-(pyridin-3-ylmethyl)aniline
CID 90291449
4-fluoro-2-(pyridin-3-ylmethoxy)aniline
CID 16773987
3-[(2-amino-5-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 43443738
4-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 13276723
2-fluoro-6-(pyridin-3-ylmethyl)aniline
CID 105454246
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-[1-(2-benzyl-4-fluorophenyl)-2-pyridin-3-ylethyl]pyridine
CID 69287318
5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 104737174
N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylethanamine
CID 60913065
3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine
CID 104737129
2-methyl-5-(pyridin-3-ylmethyl)aniline
CID 104736835
3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine
CID 121269348

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 4-fluoro-2-(pyridin-3-ylmethyl)aniline (CID 105454248) is 4-fluoro-2-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-2-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-2-(pyridin-3-ylmethyl)aniline is Nc1ccc(F)cc1Cc1cccnc1.
What is the InChIKey of 4-fluoro-2-(pyridin-3-ylmethyl)aniline?
The InChIKey is GMFHVAWMIDUSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2/c13-11-3-4-12(14)10(7-11)6-9-2-1-5-15-8-9/h1-5,7-8H,6,14H2.
What are the key properties of 4-fluoro-2-(pyridin-3-ylmethyl)aniline?
4-fluoro-2-(pyridin-3-ylmethyl)aniline has a molecular weight of 202.23 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 105454248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).