N-[(4-bromothiophen-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine

C11H10BrFN2S — CID 104953472

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine
SMILESFc1cncc(CNCc2cc(Br)cs2)c1
InChIInChI=1S/C11H10BrFN2S/c12-9-2-11(16-7-9)6-15-4-8-1-10(13)5-14-3-8/h1-3,5,7,15H,4,6H2
InChIKeyXJZBQFQMGVEQMH-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.33
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine

N-[(4-bromothiophen-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine (PubChem CID 104953472) has the molecular formula C11H10BrFN2S and a molecular weight of 301.18 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine
PubChem CID104953472
Molecular FormulaC11H10BrFN2S
Molecular Weight301.18 g/mol
Exact Mass299.97
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine
SMILESFc1cncc(CNCc2cc(Br)cs2)c1
InChIInChI=1S/C11H10BrFN2S/c12-9-2-11(16-7-9)6-15-4-8-1-10(13)5-14-3-8/h1-3,5,7,15H,4,6H2
InChIKeyXJZBQFQMGVEQMH-UHFFFAOYSA-N
XLogP3.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromothiophen-2-yl)methyl]-1-(5-fluoro-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

N-[(4-bromothiophen-2-yl)methyl]-1-(3,5-difluorophenyl)methanamine
CID 115579770
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 28833084
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 28833082
1-(5-fluoro-3-pyridinyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 104953648
N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine
CID 4792507
N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine
CID 28833347
2-(4-bromothiophen-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105139329
4-[[(4-bromothiophen-2-yl)methylamino]methyl]-2-fluorobenzoic acid
CID 106700156
4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde
CID 134293937
N-[(4-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine
CID 60975561
1-(4-bromothiophen-2-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]methanamine
CID 62404239
N-[(4-bromothiophen-2-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698668

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine (CID 104953472) is N-[(4-bromothiophen-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine is Fc1cncc(CNCc2cc(Br)cs2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine?
The InChIKey is XJZBQFQMGVEQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2S/c12-9-2-11(16-7-9)6-15-4-8-1-10(13)5-14-3-8/h1-3,5,7,15H,4,6H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine?
N-[(4-bromothiophen-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine has a molecular weight of 301.18 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine is sourced from PubChem (CID 104953472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).