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

C11H11BrN2S — CID 104776991

IUPAC3-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
SMILESCc1ccc(CNc2ccncc2Br)s1
InChIInChI=1S/C11H11BrN2S/c1-8-2-3-9(15-8)6-14-11-4-5-13-7-10(11)12/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyVQJXWLJYUWNYTD-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.83
Rot. Bonds3

About 3-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine

3-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine (PubChem CID 104776991) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 3-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
PubChem CID104776991
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name3-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
SMILESCc1ccc(CNc2ccncc2Br)s1
InChIInChI=1S/C11H11BrN2S/c1-8-2-3-9(15-8)6-14-11-4-5-13-7-10(11)12/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyVQJXWLJYUWNYTD-UHFFFAOYSA-N
XLogP3.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-3-nitropyridin-4-amine
CID 55029707
2,4-dibromo-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43683008
3-bromo-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-4-amine
CID 130763047
N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 62057971
3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 104777162
6-bromo-2-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridin-3-amine
CID 104600033
3-bromo-N-[(5-methylthiophen-2-yl)methyl]-5-nitropyridin-4-amine
CID 113343653
3-bromo-4-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 43745616
5-methyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 63208187
2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28619767
4-bromo-2-ethyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
CID 114436760
N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 60962238

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine?
The IUPAC name of 3-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine (CID 104776991) is 3-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine is Cc1ccc(CNc2ccncc2Br)s1.
What is the InChIKey of 3-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine?
The InChIKey is VQJXWLJYUWNYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-8-2-3-9(15-8)6-14-11-4-5-13-7-10(11)12/h2-5,7H,6H2,1H3,(H,13,14).
What are the key properties of 3-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine?
3-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine has a molecular weight of 283.19 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 104776991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).