5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine

C13H14BrClN2S — CID 107081351

IUPAC5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine
SMILESCc1cc(CBr)cnc1N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C13H14BrClN2S/c1-9-5-10(6-14)7-16-13(9)17(2)8-11-3-4-12(15)18-11/h3-5,7H,6,8H2,1-2H3
InChIKeyXPVRMJCOTNIQGA-UHFFFAOYSA-N
MW345.69 g/mol
LogP4.64
Rot. Bonds4

About 5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine

5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine (PubChem CID 107081351) has the molecular formula C13H14BrClN2S and a molecular weight of 345.69 g/mol. Its IUPAC name is 5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine
PubChem CID107081351
Molecular FormulaC13H14BrClN2S
Molecular Weight345.69 g/mol
Exact Mass343.97
IUPAC Name5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine
SMILESCc1cc(CBr)cnc1N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C13H14BrClN2S/c1-9-5-10(6-14)7-16-13(9)17(2)8-11-3-4-12(15)18-11/h3-5,7H,6,8H2,1-2H3
InChIKeyXPVRMJCOTNIQGA-UHFFFAOYSA-N
XLogP4.64
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.69
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107080224
3-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876765
5-(bromomethyl)-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 107082345
5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80799071
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 66340620
5-bromo-2-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carboxylic acid
CID 62000773
2-N-[(5-bromothiophen-2-yl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 115147983
5-(bromomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107080687
4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80799680
5-(bromomethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 107084972
5-(bromomethyl)-N,3-dimethyl-N-(3-methylbutyl)pyridin-2-amine
CID 107081147
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-N-methylpyrimidin-4-amine
CID 79080525

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine (CID 107081351) is 5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine is Cc1cc(CBr)cnc1N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine?
The InChIKey is XPVRMJCOTNIQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2S/c1-9-5-10(6-14)7-16-13(9)17(2)8-11-3-4-12(15)18-11/h3-5,7H,6,8H2,1-2H3.
What are the key properties of 5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine?
5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine has a molecular weight of 345.69 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 107081351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).