2-fluoro-6-(pyridin-3-ylmethyl)aniline

C12H11FN2 — CID 105454246

IUPAC2-fluoro-6-(pyridin-3-ylmethyl)aniline
SMILESNc1c(F)cccc1Cc1cccnc1
InChIInChI=1S/C12H11FN2/c13-11-5-1-4-10(12(11)14)7-9-3-2-6-15-8-9/h1-6,8H,7,14H2
InChIKeyJHVBYZLLFSHKKU-UHFFFAOYSA-N
MW202.23 g/mol
LogP2.39
Rot. Bonds2

About 2-fluoro-6-(pyridin-3-ylmethyl)aniline

2-fluoro-6-(pyridin-3-ylmethyl)aniline (PubChem CID 105454246) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-fluoro-6-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-6-(pyridin-3-ylmethyl)aniline
PubChem CID105454246
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name2-fluoro-6-(pyridin-3-ylmethyl)aniline
SMILESNc1c(F)cccc1Cc1cccnc1
InChIInChI=1S/C12H11FN2/c13-11-5-1-4-10(12(11)14)7-9-3-2-6-15-8-9/h1-6,8H,7,14H2
InChIKeyJHVBYZLLFSHKKU-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-ylmethyl)aniline
CID 105454248
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 104737174
2-[3-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 112615158
1-(pyridin-3-ylmethyl)-9H-carbazole
CID 66606806
3-[(2,5-dichlorophenyl)methyl]pyridine
CID 102311529
3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine
CID 121269348
6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681587
N-(2,6-difluorophenyl)-2-pyridin-3-ylacetamide
CID 110697216
3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine
CID 115127057
3,6-dichloro-4-(pyridin-3-ylmethyl)pyridazine
CID 104737129

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 2-fluoro-6-(pyridin-3-ylmethyl)aniline (CID 105454246) is 2-fluoro-6-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-6-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-6-(pyridin-3-ylmethyl)aniline is Nc1c(F)cccc1Cc1cccnc1.
What is the InChIKey of 2-fluoro-6-(pyridin-3-ylmethyl)aniline?
The InChIKey is JHVBYZLLFSHKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2/c13-11-5-1-4-10(12(11)14)7-9-3-2-6-15-8-9/h1-6,8H,7,14H2.
What are the key properties of 2-fluoro-6-(pyridin-3-ylmethyl)aniline?
2-fluoro-6-(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 2-fluoro-6-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 105454246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).