(1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol

C10H15ClN2O — CID 130970930

IUPAC(1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol
SMILESCC(C)[C@H](N)[C@@H](O)c1ccnc(Cl)c1
InChIInChI=1S/C10H15ClN2O/c1-6(2)9(12)10(14)7-3-4-13-8(11)5-7/h3-6,9-10,14H,12H2,1-2H3/t9-,10-/m0/s1
InChIKeyPTHLTJFCSAYGEF-UWVGGRQHSA-N
MW214.70 g/mol
LogP1.75
Rot. Bonds3

About (1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol

(1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol (PubChem CID 130970930) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is (1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol
PubChem CID130970930
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name(1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol
SMILESCC(C)[C@H](N)[C@@H](O)c1ccnc(Cl)c1
InChIInChI=1S/C10H15ClN2O/c1-6(2)9(12)10(14)7-3-4-13-8(11)5-7/h3-6,9-10,14H,12H2,1-2H3/t9-,10-/m0/s1
InChIKeyPTHLTJFCSAYGEF-UWVGGRQHSA-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

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-pyridinyl)-2-methylpropan-1-amine
CID 55294166
(1R,2R)-2-amino-1-(2-chloro-4-pyridinyl)butan-1-ol
CID 131060387
1-(2-chloro-4-pyridinyl)propane-1,2,3-triol
CID 170817359
2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol
CID 73115423
4-bromo-1-(2-chloro-4-pyridinyl)butane-1,2-diol
CID 171891492
(1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol
CID 131191100
(1S,2R)-2-amino-1-(2-methyl-4-pyridinyl)propan-1-ol
CID 96740451
(1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol
CID 89034053
1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine
CID 131049185
methyl 3-amino-3-(2-chloro-4-pyridinyl)propanoate;dihydrochloride
CID 170920851
3-[1-(2-chloro-4-pyridinyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115894976
1-aminoethanol;2-chloropyridine
CID 174681100

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol?
The IUPAC name of (1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol (CID 130970930) is (1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol.
What is the SMILES notation for (1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol?
The canonical SMILES for (1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol is CC(C)[C@H](N)[C@@H](O)c1ccnc(Cl)c1.
What is the InChIKey of (1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol?
The InChIKey is PTHLTJFCSAYGEF-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-6(2)9(12)10(14)7-3-4-13-8(11)5-7/h3-6,9-10,14H,12H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol?
(1S,2S)-2-amino-1-(2-chloro-4-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,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol is sourced from PubChem (CID 130970930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).