N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine

C11H10BrClN2S — CID 102831068

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESClc1sc(CNCc2ccncc2)cc1Br
InChIInChI=1S/C11H10BrClN2S/c12-10-5-9(16-11(10)13)7-15-6-8-1-3-14-4-2-8/h1-5,15H,6-7H2
InChIKeyILSKEWXFZRLBBY-UHFFFAOYSA-N
MW317.64 g/mol
LogP3.85
Rot. Bonds4

About N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine (PubChem CID 102831068) has the molecular formula C11H10BrClN2S and a molecular weight of 317.64 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
PubChem CID102831068
Molecular FormulaC11H10BrClN2S
Molecular Weight317.64 g/mol
Exact Mass315.94
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESClc1sc(CNCc2ccncc2)cc1Br
InChIInChI=1S/C11H10BrClN2S/c12-10-5-9(16-11(10)13)7-15-6-8-1-3-14-4-2-8/h1-5,15H,6-7H2
InChIKeyILSKEWXFZRLBBY-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.64
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 102835909
(1S)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 102836876
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 28833082
1-(4-bromo-5-chlorothiophen-2-yl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 102836241
1-(4-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102831355
N-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine
CID 66159083
1-(4-bromo-5-chlorothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 102835784
1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 102835699
1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 834417
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 102837874
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758662
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(3-fluorophenyl)ethanamine
CID 102831662

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine (CID 102831068) is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine is Clc1sc(CNCc2ccncc2)cc1Br.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is ILSKEWXFZRLBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2S/c12-10-5-9(16-11(10)13)7-15-6-8-1-3-14-4-2-8/h1-5,15H,6-7H2.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine?
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 317.64 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 102831068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).