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

C12H11FN2 — CID 54086416

IUPAC3-fluoro-4-(pyridin-2-ylmethyl)aniline
SMILESNc1ccc(Cc2ccccn2)c(F)c1
InChIInChI=1S/C12H11FN2/c13-12-8-10(14)5-4-9(12)7-11-3-1-2-6-15-11/h1-6,8H,7,14H2
InChIKeyBQYMKZUPEAOCIU-UHFFFAOYSA-N
MW202.23 g/mol
LogP2.39
Rot. Bonds2

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

3-fluoro-4-(pyridin-2-ylmethyl)aniline (PubChem CID 54086416) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 3-fluoro-4-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-(pyridin-2-ylmethyl)aniline
PubChem CID54086416
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name3-fluoro-4-(pyridin-2-ylmethyl)aniline
SMILESNc1ccc(Cc2ccccn2)c(F)c1
InChIInChI=1S/C12H11FN2/c13-12-8-10(14)5-4-9(12)7-11-3-1-2-6-15-11/h1-6,8H,7,14H2
InChIKeyBQYMKZUPEAOCIU-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

3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride
CID 75530160
5-fluoro-2-(pyridin-2-ylmethyl)phenol
CID 83129937
3-fluoro-4-(pyridin-2-ylmethylsulfonyl)aniline
CID 81192175
4-chloro-2-(pyridin-2-ylmethyl)aniline
CID 14005180
[5-chloro-2-(pyridin-2-ylmethyl)phenyl]methanamine
CID 66161310
[4-(aminomethyl)-2,3-bis(pyridin-2-ylmethyl)phenyl]methanamine
CID 68592017
3-fluoro-4-[(4-fluorophenyl)methyl]aniline
CID 22600023
2-[(2,5-dibromophenyl)methyl]pyridine
CID 152592828
benzene-1,2-diamine;2-(pyridin-2-ylmethyl)phenol
CID 175372198
2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
CID 102075718
3-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 107208235
3-fluoro-4-(quinolin-5-yloxymethyl)aniline
CID 103044079

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 3-fluoro-4-(pyridin-2-ylmethyl)aniline (CID 54086416) is 3-fluoro-4-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 3-fluoro-4-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 3-fluoro-4-(pyridin-2-ylmethyl)aniline is Nc1ccc(Cc2ccccn2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(pyridin-2-ylmethyl)aniline?
The InChIKey is BQYMKZUPEAOCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2/c13-12-8-10(14)5-4-9(12)7-11-3-1-2-6-15-11/h1-6,8H,7,14H2.
What are the key properties of 3-fluoro-4-(pyridin-2-ylmethyl)aniline?
3-fluoro-4-(pyridin-2-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 3-fluoro-4-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 54086416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).