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

C12H11FN2 — CID 645683

IUPAC4-fluoro-N-(pyridin-3-ylmethyl)aniline
SMILESFc1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C12H11FN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2
InChIKeyACUPPIKXBQWISN-UHFFFAOYSA-N
MW202.23 g/mol
LogP2.83
Rot. Bonds3

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

4-fluoro-N-(pyridin-3-ylmethyl)aniline (PubChem CID 645683) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 4-fluoro-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(pyridin-3-ylmethyl)aniline
PubChem CID645683
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name4-fluoro-N-(pyridin-3-ylmethyl)aniline
SMILESFc1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C12H11FN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2
InChIKeyACUPPIKXBQWISN-UHFFFAOYSA-N
XLogP2.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 205586
CID 205586
CID 91462
CID 91462
CID 412
CID 412
CID 2181
CID 2181
CID 2366
CID 2366
CID 75919
CID 75919
CID 18985
CID 18985
CID 5310967
CID 5310967
CID 31018
CID 31018
CID 459494
CID 459494
CID 13886
CID 13886
CID 9794203
CID 9794203

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 4-fluoro-N-(pyridin-3-ylmethyl)aniline (CID 645683) is 4-fluoro-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-N-(pyridin-3-ylmethyl)aniline is Fc1ccc(NCc2cccnc2)cc1.
What is the InChIKey of 4-fluoro-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is ACUPPIKXBQWISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2.
What are the key properties of 4-fluoro-N-(pyridin-3-ylmethyl)aniline?
4-fluoro-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 202.23 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 645683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).