3-bromo-5-chloro-N-[(3-ethylthiophen-2-yl)methyl]pyridin-2-amine

C12H12BrClN2S — CID 114836004

IUPAC3-bromo-5-chloro-N-[(3-ethylthiophen-2-yl)methyl]pyridin-2-amine
SMILESCCc1ccsc1CNc1ncc(Cl)cc1Br
InChIInChI=1S/C12H12BrClN2S/c1-2-8-3-4-17-11(8)7-16-12-10(13)5-9(14)6-15-12/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyRXSGTPRALHNSSS-UHFFFAOYSA-N
MW331.67 g/mol
LogP4.73
Rot. Bonds4

About 3-bromo-5-chloro-N-[(3-ethylthiophen-2-yl)methyl]pyridin-2-amine

3-bromo-5-chloro-N-[(3-ethylthiophen-2-yl)methyl]pyridin-2-amine (PubChem CID 114836004) has the molecular formula C12H12BrClN2S and a molecular weight of 331.67 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(3-ethylthiophen-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(3-ethylthiophen-2-yl)methyl]pyridin-2-amine
PubChem CID114836004
Molecular FormulaC12H12BrClN2S
Molecular Weight331.67 g/mol
Exact Mass329.96
IUPAC Name3-bromo-5-chloro-N-[(3-ethylthiophen-2-yl)methyl]pyridin-2-amine
SMILESCCc1ccsc1CNc1ncc(Cl)cc1Br
InChIInChI=1S/C12H12BrClN2S/c1-2-8-3-4-17-11(8)7-16-12-10(13)5-9(14)6-15-12/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyRXSGTPRALHNSSS-UHFFFAOYSA-N
XLogP4.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.67
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
2-chloro-4-N-[(3-ethylthiophen-2-yl)methyl]pyrimidine-4,5-diamine
CID 114043903
3,5-dichloro-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 112726147
5-chloro-4-N-[(3-ethylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80854706
3-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 114835766
3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid
CID 107062834
3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
CID 114835853
6-N-ethyl-4-N-[(3-ethylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80839995
3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 114835632
3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine
CID 130965117
3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329478
2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine
CID 80652752

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(3-ethylthiophen-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-[(3-ethylthiophen-2-yl)methyl]pyridin-2-amine (CID 114836004) is 3-bromo-5-chloro-N-[(3-ethylthiophen-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-[(3-ethylthiophen-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-[(3-ethylthiophen-2-yl)methyl]pyridin-2-amine is CCc1ccsc1CNc1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-N-[(3-ethylthiophen-2-yl)methyl]pyridin-2-amine?
The InChIKey is RXSGTPRALHNSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2S/c1-2-8-3-4-17-11(8)7-16-12-10(13)5-9(14)6-15-12/h3-6H,2,7H2,1H3,(H,15,16).
What are the key properties of 3-bromo-5-chloro-N-[(3-ethylthiophen-2-yl)methyl]pyridin-2-amine?
3-bromo-5-chloro-N-[(3-ethylthiophen-2-yl)methyl]pyridin-2-amine has a molecular weight of 331.67 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[(3-ethylthiophen-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 114836004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).