6-fluoro-N-[(3-methoxythiophen-2-yl)methyl]pyridin-3-amine

C11H11FN2OS — CID 115925096

IUPAC6-fluoro-N-[(3-methoxythiophen-2-yl)methyl]pyridin-3-amine
SMILESCOc1ccsc1CNc1ccc(F)nc1
InChIInChI=1S/C11H11FN2OS/c1-15-9-4-5-16-10(9)7-13-8-2-3-11(12)14-6-8/h2-6,13H,7H2,1H3
InChIKeyFTRCCBIESLKMOL-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.90
Rot. Bonds4

About 6-fluoro-N-[(3-methoxythiophen-2-yl)methyl]pyridin-3-amine

6-fluoro-N-[(3-methoxythiophen-2-yl)methyl]pyridin-3-amine (PubChem CID 115925096) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-fluoro-N-[(3-methoxythiophen-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-fluoro-N-[(3-methoxythiophen-2-yl)methyl]pyridin-3-amine
PubChem CID115925096
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name6-fluoro-N-[(3-methoxythiophen-2-yl)methyl]pyridin-3-amine
SMILESCOc1ccsc1CNc1ccc(F)nc1
InChIInChI=1S/C11H11FN2OS/c1-15-9-4-5-16-10(9)7-13-8-2-3-11(12)14-6-8/h2-6,13H,7H2,1H3
InChIKeyFTRCCBIESLKMOL-UHFFFAOYSA-N
XLogP2.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(3-methoxythiophen-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-fluoro-N-[(3-methoxythiophen-2-yl)methyl]pyridin-3-amine (CID 115925096) is 6-fluoro-N-[(3-methoxythiophen-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-fluoro-N-[(3-methoxythiophen-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-fluoro-N-[(3-methoxythiophen-2-yl)methyl]pyridin-3-amine is COc1ccsc1CNc1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-[(3-methoxythiophen-2-yl)methyl]pyridin-3-amine?
The InChIKey is FTRCCBIESLKMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-15-9-4-5-16-10(9)7-13-8-2-3-11(12)14-6-8/h2-6,13H,7H2,1H3.
What are the key properties of 6-fluoro-N-[(3-methoxythiophen-2-yl)methyl]pyridin-3-amine?
6-fluoro-N-[(3-methoxythiophen-2-yl)methyl]pyridin-3-amine has a molecular weight of 238.29 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(3-methoxythiophen-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 115925096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).