2-N-[(4-bromothiophen-2-yl)methyl]-6-chloropyridine-2,3-diamine

C10H9BrClN3S — CID 115474210

IUPAC2-N-[(4-bromothiophen-2-yl)methyl]-6-chloropyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1NCc1cc(Br)cs1
InChIInChI=1S/C10H9BrClN3S/c11-6-3-7(16-5-6)4-14-10-8(13)1-2-9(12)15-10/h1-3,5H,4,13H2,(H,14,15)
InChIKeyULPFPDYGZKDIEB-UHFFFAOYSA-N
MW318.63 g/mol
LogP3.75
Rot. Bonds3

About 2-N-[(4-bromothiophen-2-yl)methyl]-6-chloropyridine-2,3-diamine

2-N-[(4-bromothiophen-2-yl)methyl]-6-chloropyridine-2,3-diamine (PubChem CID 115474210) has the molecular formula C10H9BrClN3S and a molecular weight of 318.63 g/mol. Its IUPAC name is 2-N-[(4-bromothiophen-2-yl)methyl]-6-chloropyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[(4-bromothiophen-2-yl)methyl]-6-chloropyridine-2,3-diamine
PubChem CID115474210
Molecular FormulaC10H9BrClN3S
Molecular Weight318.63 g/mol
Exact Mass316.94
IUPAC Name2-N-[(4-bromothiophen-2-yl)methyl]-6-chloropyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1NCc1cc(Br)cs1
InChIInChI=1S/C10H9BrClN3S/c11-6-3-7(16-5-6)4-14-10-8(13)1-2-9(12)15-10/h1-3,5H,4,13H2,(H,14,15)
InChIKeyULPFPDYGZKDIEB-UHFFFAOYSA-N
XLogP3.75
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.63
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-N-(thiophen-3-ylmethyl)pyridine-2,3-diamine
CID 115474154
3-N-[(4-bromothiophen-2-yl)methyl]quinoxaline-2,3-diamine
CID 102984548
4-N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80836890
6-chloro-2-N-[(3-methylthiophen-2-yl)methyl]pyridine-2,3-diamine
CID 115474328
6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine
CID 115474161
4-N-[(4-bromothiophen-2-yl)methyl]quinazoline-4,7-diamine
CID 65336460
1-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzene-1,2-diamine
CID 104834597
3-N-[(4-bromothiophen-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66277551
5-amino-6-[(4-bromothiophen-2-yl)methylamino]pyridine-3-carbonitrile
CID 103468530
[3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231936
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline
CID 28992923
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 80758459

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-bromothiophen-2-yl)methyl]-6-chloropyridine-2,3-diamine?
The IUPAC name of 2-N-[(4-bromothiophen-2-yl)methyl]-6-chloropyridine-2,3-diamine (CID 115474210) is 2-N-[(4-bromothiophen-2-yl)methyl]-6-chloropyridine-2,3-diamine.
What is the SMILES notation for 2-N-[(4-bromothiophen-2-yl)methyl]-6-chloropyridine-2,3-diamine?
The canonical SMILES for 2-N-[(4-bromothiophen-2-yl)methyl]-6-chloropyridine-2,3-diamine is Nc1ccc(Cl)nc1NCc1cc(Br)cs1.
What is the InChIKey of 2-N-[(4-bromothiophen-2-yl)methyl]-6-chloropyridine-2,3-diamine?
The InChIKey is ULPFPDYGZKDIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3S/c11-6-3-7(16-5-6)4-14-10-8(13)1-2-9(12)15-10/h1-3,5H,4,13H2,(H,14,15).
What are the key properties of 2-N-[(4-bromothiophen-2-yl)methyl]-6-chloropyridine-2,3-diamine?
2-N-[(4-bromothiophen-2-yl)methyl]-6-chloropyridine-2,3-diamine has a molecular weight of 318.63 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-bromothiophen-2-yl)methyl]-6-chloropyridine-2,3-diamine is sourced from PubChem (CID 115474210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).