(1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol

C10H15ClN2O — CID 131191100

IUPAC(1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](N)[C@@H](O)c1cncc(Cl)c1
InChIInChI=1S/C10H15ClN2O/c1-6(2)9(12)10(14)7-3-8(11)5-13-4-7/h3-6,9-10,14H,12H2,1-2H3/t9-,10+/m1/s1
InChIKeyVTGDTEQBJGSBMQ-ZJUUUORDSA-N
MW214.70 g/mol
LogP1.75
Rot. Bonds3

About (1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol

(1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol (PubChem CID 131191100) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol
PubChem CID131191100
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name(1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](N)[C@@H](O)c1cncc(Cl)c1
InChIInChI=1S/C10H15ClN2O/c1-6(2)9(12)10(14)7-3-8(11)5-13-4-7/h3-6,9-10,14H,12H2,1-2H3/t9-,10+/m1/s1
InChIKeyVTGDTEQBJGSBMQ-ZJUUUORDSA-N
XLogP1.75
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-2-amino-1-(5-amino-3-pyridinyl)-3-methylbutan-1-ol
CID 131014604
(1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
CID 131023913
(1R,2R)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
CID 55270497
(1S)-1-(5-chloro-3-pyridinyl)ethanol
CID 171991494
2-amino-2-(4-chlorophenyl)-1-(5-chloro-3-pyridinyl)ethanol
CID 123836441
2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol
CID 73115423
3-chloro-5-(3,3-dimethylbutan-2-yl)pyridine
CID 176739073
(1S)-1-(5-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 130655879
4-bromo-1-(5-chloro-3-pyridinyl)butane-1,2-diol
CID 171891473
(1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol
CID 130970930
3-butan-2-yl-5-chloropyridine
CID 123919361
S-[3-(5-chloro-3-pyridinyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821398

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol?
The IUPAC name of (1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol (CID 131191100) is (1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol.
What is the SMILES notation for (1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol?
The canonical SMILES for (1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol is CC(C)[C@@H](N)[C@@H](O)c1cncc(Cl)c1.
What is the InChIKey of (1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol?
The InChIKey is VTGDTEQBJGSBMQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-6(2)9(12)10(14)7-3-8(11)5-13-4-7/h3-6,9-10,14H,12H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol?
(1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol has a molecular weight of 214.70 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol is sourced from PubChem (CID 131191100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).