N-[(3-bromothiophen-2-yl)methyl]-2,6-dichloro-4-methylpyridin-3-amine

C11H9BrCl2N2S — CID 114051280

IUPACN-[(3-bromothiophen-2-yl)methyl]-2,6-dichloro-4-methylpyridin-3-amine
SMILESCc1cc(Cl)nc(Cl)c1NCc1sccc1Br
InChIInChI=1S/C11H9BrCl2N2S/c1-6-4-9(13)16-11(14)10(6)15-5-8-7(12)2-3-17-8/h2-4,15H,5H2,1H3
InChIKeyAEZZRIVOXXFZLM-UHFFFAOYSA-N
MW352.08 g/mol
LogP5.13
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]-2,6-dichloro-4-methylpyridin-3-amine

N-[(3-bromothiophen-2-yl)methyl]-2,6-dichloro-4-methylpyridin-3-amine (PubChem CID 114051280) has the molecular formula C11H9BrCl2N2S and a molecular weight of 352.08 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-2,6-dichloro-4-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-2,6-dichloro-4-methylpyridin-3-amine
PubChem CID114051280
Molecular FormulaC11H9BrCl2N2S
Molecular Weight352.08 g/mol
Exact Mass349.90
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-2,6-dichloro-4-methylpyridin-3-amine
SMILESCc1cc(Cl)nc(Cl)c1NCc1sccc1Br
InChIInChI=1S/C11H9BrCl2N2S/c1-6-4-9(13)16-11(14)10(6)15-5-8-7(12)2-3-17-8/h2-4,15H,5H2,1H3
InChIKeyAEZZRIVOXXFZLM-UHFFFAOYSA-N
XLogP5.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.08
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 103738307
2-[(3-bromothiophen-2-yl)methylamino]-6-chloropyridine-4-carbonitrile
CID 83076266
N-[(3-bromothiophen-2-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 115379859
N-[(3-bromothiophen-2-yl)methyl]-2-chloro-4-methylaniline
CID 63488835
2-bromo-N-[(3-bromothiophen-2-yl)methyl]-6-chloro-4-fluoroaniline
CID 107610481
N-[(3-bromothiophen-2-yl)methyl]-5,7-dichloro-2,1,3-benzothiadiazol-4-amine
CID 65473307
4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 63449338
4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-methylaniline
CID 63488263
4-N-[(3-bromothiophen-2-yl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80851890
N-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 80978253
2-bromo-N-[(3-bromothiophen-2-yl)methyl]-4-methylaniline
CID 63490139
N-[(3-bromothiophen-2-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114476013

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2,6-dichloro-4-methylpyridin-3-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2,6-dichloro-4-methylpyridin-3-amine (CID 114051280) is N-[(3-bromothiophen-2-yl)methyl]-2,6-dichloro-4-methylpyridin-3-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-2,6-dichloro-4-methylpyridin-3-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-2,6-dichloro-4-methylpyridin-3-amine is Cc1cc(Cl)nc(Cl)c1NCc1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-2,6-dichloro-4-methylpyridin-3-amine?
The InChIKey is AEZZRIVOXXFZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N2S/c1-6-4-9(13)16-11(14)10(6)15-5-8-7(12)2-3-17-8/h2-4,15H,5H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-2,6-dichloro-4-methylpyridin-3-amine?
N-[(3-bromothiophen-2-yl)methyl]-2,6-dichloro-4-methylpyridin-3-amine has a molecular weight of 352.08 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-2,6-dichloro-4-methylpyridin-3-amine is sourced from PubChem (CID 114051280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).