[6-(6-fluoro-1-benzothiophen-2-yl)-3-pyridinyl]methanamine

C14H11FN2S — CID 115110744

IUPAC[6-(6-fluoro-1-benzothiophen-2-yl)-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2cc3ccc(F)cc3s2)nc1
InChIInChI=1S/C14H11FN2S/c15-11-3-2-10-5-14(18-13(10)6-11)12-4-1-9(7-16)8-17-12/h1-6,8H,7,16H2
InChIKeyXEHZCOLTMDRUBE-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.56
Rot. Bonds2

About [6-(6-fluoro-1-benzothiophen-2-yl)-3-pyridinyl]methanamine

[6-(6-fluoro-1-benzothiophen-2-yl)-3-pyridinyl]methanamine (PubChem CID 115110744) has the molecular formula C14H11FN2S and a molecular weight of 258.32 g/mol. Its IUPAC name is [6-(6-fluoro-1-benzothiophen-2-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(6-fluoro-1-benzothiophen-2-yl)-3-pyridinyl]methanamine
PubChem CID115110744
Molecular FormulaC14H11FN2S
Molecular Weight258.32 g/mol
Exact Mass258.06
IUPAC Name[6-(6-fluoro-1-benzothiophen-2-yl)-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2cc3ccc(F)cc3s2)nc1
InChIInChI=1S/C14H11FN2S/c15-11-3-2-10-5-14(18-13(10)6-11)12-4-1-9(7-16)8-17-12/h1-6,8H,7,16H2
InChIKeyXEHZCOLTMDRUBE-UHFFFAOYSA-N
XLogP3.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-(6-fluoro-1-benzothiophen-2-yl)-3-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-fluoro-2-pyridinyl)-1-benzothiophene-6-carboxamide
CID 45142264
[6-(2,5-difluorophenyl)-3-pyridinyl]methanamine
CID 83917580
[6-(4-bromo-1-benzothiophen-2-yl)-3-pyridinyl]methanamine
CID 115113590
[6-(5-fluoro-1-methylbenzimidazol-2-yl)-3-pyridinyl]methanamine
CID 81098767
[2-(6-chloro-1-benzothiophen-2-yl)-4-pyridinyl]methanamine
CID 115113835
5-(6-fluoro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-amine
CID 81104224
2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 81104678
1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 81106993
(6-bromo-3-pyridinyl)methanamine
CID 22450529
4-ethyl-5-(6-fluoro-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
CID 81105153
6-fluoro-1-benzothiophen-2-amine
CID 82597319
[6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81090077

Frequently Asked Questions

What is the IUPAC name of [6-(6-fluoro-1-benzothiophen-2-yl)-3-pyridinyl]methanamine?
The IUPAC name of [6-(6-fluoro-1-benzothiophen-2-yl)-3-pyridinyl]methanamine (CID 115110744) is [6-(6-fluoro-1-benzothiophen-2-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(6-fluoro-1-benzothiophen-2-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(6-fluoro-1-benzothiophen-2-yl)-3-pyridinyl]methanamine is NCc1ccc(-c2cc3ccc(F)cc3s2)nc1.
What is the InChIKey of [6-(6-fluoro-1-benzothiophen-2-yl)-3-pyridinyl]methanamine?
The InChIKey is XEHZCOLTMDRUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2S/c15-11-3-2-10-5-14(18-13(10)6-11)12-4-1-9(7-16)8-17-12/h1-6,8H,7,16H2.
What are the key properties of [6-(6-fluoro-1-benzothiophen-2-yl)-3-pyridinyl]methanamine?
[6-(6-fluoro-1-benzothiophen-2-yl)-3-pyridinyl]methanamine has a molecular weight of 258.32 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6-fluoro-1-benzothiophen-2-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 115110744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).