5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine

C10H14BrN3S — CID 107294937

IUPAC5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine
SMILESNc1cc(Br)cnc1NCC1CCSC1
InChIInChI=1S/C10H14BrN3S/c11-8-3-9(12)10(14-5-8)13-4-7-1-2-15-6-7/h3,5,7H,1-2,4,6,12H2,(H,13,14)
InChIKeyCQQVCHBIAPOQAE-UHFFFAOYSA-N
MW288.21 g/mol
LogP2.59
Rot. Bonds3

About 5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine

5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine (PubChem CID 107294937) has the molecular formula C10H14BrN3S and a molecular weight of 288.21 g/mol. Its IUPAC name is 5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine
PubChem CID107294937
Molecular FormulaC10H14BrN3S
Molecular Weight288.21 g/mol
Exact Mass287.01
IUPAC Name5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine
SMILESNc1cc(Br)cnc1NCC1CCSC1
InChIInChI=1S/C10H14BrN3S/c11-8-3-9(12)10(14-5-8)13-4-7-1-2-15-6-7/h3,5,7H,1-2,4,6,12H2,(H,13,14)
InChIKeyCQQVCHBIAPOQAE-UHFFFAOYSA-N
XLogP2.59
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
CID 62823635
4-methyl-2-N-(thiolan-3-ylmethyl)pyridine-2,5-diamine
CID 107294876
4-bromo-N-(thiolan-3-ylmethyl)pyridin-2-amine
CID 130692096
2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine
CID 107294936
2-N-(thiolan-3-ylmethyl)pyridine-2,4-diamine
CID 107294970
5-bromo-4-(thiolan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136823717
2-N-(cyclopropylmethyl)-5-methylpyridine-2,3-diamine
CID 66281261
5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine
CID 130956227
5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 63225930
2-chloro-5-methyl-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107297738
N-(thiolan-3-ylmethyl)pyrimidin-5-amine
CID 107588267
4-bromo-2-methyl-N-(thiolan-3-ylmethyl)aniline
CID 107131146

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine (CID 107294937) is 5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine is Nc1cc(Br)cnc1NCC1CCSC1.
What is the InChIKey of 5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine?
The InChIKey is CQQVCHBIAPOQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3S/c11-8-3-9(12)10(14-5-8)13-4-7-1-2-15-6-7/h3,5,7H,1-2,4,6,12H2,(H,13,14).
What are the key properties of 5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine?
5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine has a molecular weight of 288.21 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(thiolan-3-ylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 107294937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).