1-(3-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine

C11H10ClFN2S — CID 107359992

IUPAC1-(3-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cn1)c1sccc1Cl
InChIInChI=1S/C11H10ClFN2S/c1-14-10(11-8(12)4-5-16-11)9-3-2-7(13)6-15-9/h2-6,10,14H,1H3
InChIKeyRIGGSGKDBDRFQG-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.24
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine

1-(3-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine (PubChem CID 107359992) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
PubChem CID107359992
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name1-(3-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cn1)c1sccc1Cl
InChIInChI=1S/C11H10ClFN2S/c1-14-10(11-8(12)4-5-16-11)9-3-2-7(13)6-15-9/h2-6,10,14H,1H3
InChIKeyRIGGSGKDBDRFQG-UHFFFAOYSA-N
XLogP3.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712635
1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 105395258
1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712823
1-(3-chlorothiophen-2-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine
CID 107360106
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 107360093
1-(3-chlorothiophen-2-yl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107978079
1-(3-chlorothiophen-2-yl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 107361879
1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
CID 80528883
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 80644377
1-(5-fluoro-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 79712254
1-(2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712535
1-(3-chlorothiophen-2-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 107360135

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine (CID 107359992) is 1-(3-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine is CNC(c1ccc(F)cn1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine?
The InChIKey is RIGGSGKDBDRFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c1-14-10(11-8(12)4-5-16-11)9-3-2-7(13)6-15-9/h2-6,10,14H,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine?
1-(3-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine has a molecular weight of 256.73 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 107359992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).