5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine

C9H12BrClN2OS — CID 124681252

IUPAC5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine
SMILESC[C@H](C[S@](C)=O)Nc1ncc(Br)cc1Cl
InChIInChI=1S/C9H12BrClN2OS/c1-6(5-15(2)14)13-9-8(11)3-7(10)4-12-9/h3-4,6H,5H2,1-2H3,(H,12,13)/t6-,15+/m1/s1
InChIKeyMXGQKIRTWSUBJM-BAHMLBHCSA-N
MW311.63 g/mol
LogP2.68
Rot. Bonds4

About 5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine

5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine (PubChem CID 124681252) has the molecular formula C9H12BrClN2OS and a molecular weight of 311.63 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine
PubChem CID124681252
Molecular FormulaC9H12BrClN2OS
Molecular Weight311.63 g/mol
Exact Mass309.95
IUPAC Name5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine
SMILESC[C@H](C[S@](C)=O)Nc1ncc(Br)cc1Cl
InChIInChI=1S/C9H12BrClN2OS/c1-6(5-15(2)14)13-9-8(11)3-7(10)4-12-9/h3-4,6H,5H2,1-2H3,(H,12,13)/t6-,15+/m1/s1
InChIKeyMXGQKIRTWSUBJM-BAHMLBHCSA-N
XLogP2.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.63
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-chloro-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]pyridin-2-amine
CID 124681216
5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine
CID 103584101
5-bromo-3-chloro-N-(1-ethylsulfanylpropan-2-yl)pyridin-2-amine
CID 103582641
3,5-dichloro-6-N-(1-methylsulfinylpropan-2-yl)pyridine-2,6-diamine
CID 102759905
5-bromo-3-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 103582444
5-bromo-3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-2-amine
CID 103582511
2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide
CID 103582387
5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 103582451
5-bromo-N-but-3-yn-2-yl-3-chloropyridin-2-amine
CID 103582656
(2S)-2-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 122049570
5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 103582447
2-[(5-bromo-3-chloro-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide
CID 103582611

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine (CID 124681252) is 5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine is C[C@H](C[S@](C)=O)Nc1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine?
The InChIKey is MXGQKIRTWSUBJM-BAHMLBHCSA-N. The full InChI is InChI=1S/C9H12BrClN2OS/c1-6(5-15(2)14)13-9-8(11)3-7(10)4-12-9/h3-4,6H,5H2,1-2H3,(H,12,13)/t6-,15+/m1/s1.
What are the key properties of 5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine?
5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine has a molecular weight of 311.63 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine is sourced from PubChem (CID 124681252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).