N-[(4,5-dibromothiophen-2-yl)methyl]-5-methylpyridin-3-amine

C11H10Br2N2S — CID 107584921

IUPACN-[(4,5-dibromothiophen-2-yl)methyl]-5-methylpyridin-3-amine
SMILESCc1cncc(NCc2cc(Br)c(Br)s2)c1
InChIInChI=1S/C11H10Br2N2S/c1-7-2-8(5-14-4-7)15-6-9-3-10(12)11(13)16-9/h2-5,15H,6H2,1H3
InChIKeyWLNSSJWZBURCDP-UHFFFAOYSA-N
MW362.09 g/mol
LogP4.59
Rot. Bonds3

About N-[(4,5-dibromothiophen-2-yl)methyl]-5-methylpyridin-3-amine

N-[(4,5-dibromothiophen-2-yl)methyl]-5-methylpyridin-3-amine (PubChem CID 107584921) has the molecular formula C11H10Br2N2S and a molecular weight of 362.09 g/mol. Its IUPAC name is N-[(4,5-dibromothiophen-2-yl)methyl]-5-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[(4,5-dibromothiophen-2-yl)methyl]-5-methylpyridin-3-amine
PubChem CID107584921
Molecular FormulaC11H10Br2N2S
Molecular Weight362.09 g/mol
Exact Mass359.89
IUPAC NameN-[(4,5-dibromothiophen-2-yl)methyl]-5-methylpyridin-3-amine
SMILESCc1cncc(NCc2cc(Br)c(Br)s2)c1
InChIInChI=1S/C11H10Br2N2S/c1-7-2-8(5-14-4-7)15-6-9-3-10(12)11(13)16-9/h2-5,15H,6H2,1H3
InChIKeyWLNSSJWZBURCDP-UHFFFAOYSA-N
XLogP4.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.09
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-5-methylpyridin-3-amine?
The IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-5-methylpyridin-3-amine (CID 107584921) is N-[(4,5-dibromothiophen-2-yl)methyl]-5-methylpyridin-3-amine.
What is the SMILES notation for N-[(4,5-dibromothiophen-2-yl)methyl]-5-methylpyridin-3-amine?
The canonical SMILES for N-[(4,5-dibromothiophen-2-yl)methyl]-5-methylpyridin-3-amine is Cc1cncc(NCc2cc(Br)c(Br)s2)c1.
What is the InChIKey of N-[(4,5-dibromothiophen-2-yl)methyl]-5-methylpyridin-3-amine?
The InChIKey is WLNSSJWZBURCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2S/c1-7-2-8(5-14-4-7)15-6-9-3-10(12)11(13)16-9/h2-5,15H,6H2,1H3.
What are the key properties of N-[(4,5-dibromothiophen-2-yl)methyl]-5-methylpyridin-3-amine?
N-[(4,5-dibromothiophen-2-yl)methyl]-5-methylpyridin-3-amine has a molecular weight of 362.09 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromothiophen-2-yl)methyl]-5-methylpyridin-3-amine is sourced from PubChem (CID 107584921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).