N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyridin-2-amine

C11H11BrN2OS — CID 115750352

IUPACN-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyridin-2-amine
SMILESCOc1sc(CNc2ccccn2)cc1Br
InChIInChI=1S/C11H11BrN2OS/c1-15-11-9(12)6-8(16-11)7-14-10-4-2-3-5-13-10/h2-6H,7H2,1H3,(H,13,14)
InChIKeyOVYBMHHCZZUHLN-UHFFFAOYSA-N
MW299.19 g/mol
LogP3.53
Rot. Bonds4

About N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyridin-2-amine

N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyridin-2-amine (PubChem CID 115750352) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyridin-2-amine
PubChem CID115750352
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC NameN-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyridin-2-amine
SMILESCOc1sc(CNc2ccccn2)cc1Br
InChIInChI=1S/C11H11BrN2OS/c1-15-11-9(12)6-8(16-11)7-14-10-4-2-3-5-13-10/h2-6H,7H2,1H3,(H,13,14)
InChIKeyOVYBMHHCZZUHLN-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-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 60962238
N-[(5-amino-2-methoxyphenyl)methyl]pyridin-2-amine
CID 61014430
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine
CID 115750295
N-[[5-(methoxymethyl)furan-2-yl]methyl]pyridin-2-amine
CID 115735525
3-[(4-bromo-5-methoxythiophen-2-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 115750489
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-amine
CID 155812298
N-[(2-methylthiophen-3-yl)methyl]pyridin-2-amine
CID 130671938
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 115692578
(2S)-1-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-2-ol
CID 103884123
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115750427
N-[(4-tert-butylphenyl)methyl]pyridin-2-amine
CID 2228895
N-[(2-ethylphenyl)methyl]pyridin-2-amine
CID 64695521

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyridin-2-amine?
The IUPAC name of N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyridin-2-amine (CID 115750352) is N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyridin-2-amine is COc1sc(CNc2ccccn2)cc1Br.
What is the InChIKey of N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyridin-2-amine?
The InChIKey is OVYBMHHCZZUHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-15-11-9(12)6-8(16-11)7-14-10-4-2-3-5-13-10/h2-6H,7H2,1H3,(H,13,14).
What are the key properties of N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyridin-2-amine?
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pyridin-2-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-bromo-5-methoxythiophen-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 115750352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).