N-[(4-bromothiophen-2-yl)methyl]-2-methoxypyridin-3-amine

C11H11BrN2OS — CID 43721999

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-methoxypyridin-3-amine
SMILESCOc1ncccc1NCc1cc(Br)cs1
InChIInChI=1S/C11H11BrN2OS/c1-15-11-10(3-2-4-13-11)14-6-9-5-8(12)7-16-9/h2-5,7,14H,6H2,1H3
InChIKeyPDSFSKCCTSEJCL-UHFFFAOYSA-N
MW299.19 g/mol
LogP3.53
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-2-methoxypyridin-3-amine

N-[(4-bromothiophen-2-yl)methyl]-2-methoxypyridin-3-amine (PubChem CID 43721999) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-methoxypyridin-3-amine
PubChem CID43721999
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-methoxypyridin-3-amine
SMILESCOc1ncccc1NCc1cc(Br)cs1
InChIInChI=1S/C11H11BrN2OS/c1-15-11-10(3-2-4-13-11)14-6-9-5-8(12)7-16-9/h2-5,7,14H,6H2,1H3
InChIKeyPDSFSKCCTSEJCL-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine
CID 28972879
2-(4-bromothiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105092531
2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]pyridin-3-amine
CID 43721974
N-[(4-bromothiophen-2-yl)methyl]-2-ethoxyaniline
CID 28972860
[5-[[(2-methoxy-3-pyridinyl)amino]methyl]furan-2-yl]methanol
CID 64579186
N-[(4-bromothiophen-2-yl)methyl]-5-tert-butyl-2-methoxyaniline
CID 43681244
N-[(3-fluorophenyl)methyl]-2-methoxypyridin-3-amine
CID 43721741
4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol
CID 43721997
2-ethoxy-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 43706255
N-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine
CID 43721777
N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28972863
2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine
CID 62473316

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-methoxypyridin-3-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-methoxypyridin-3-amine (CID 43721999) is N-[(4-bromothiophen-2-yl)methyl]-2-methoxypyridin-3-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-methoxypyridin-3-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-methoxypyridin-3-amine is COc1ncccc1NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-methoxypyridin-3-amine?
The InChIKey is PDSFSKCCTSEJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-15-11-10(3-2-4-13-11)14-6-9-5-8(12)7-16-9/h2-5,7,14H,6H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-methoxypyridin-3-amine?
N-[(4-bromothiophen-2-yl)methyl]-2-methoxypyridin-3-amine has a molecular weight of 299.19 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-methoxypyridin-3-amine is sourced from PubChem (CID 43721999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).