4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol

C10H15ClN2O2 — CID 171880956

IUPAC4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol
SMILESCc1cc(C(O)C(O)CCN)cnc1Cl
InChIInChI=1S/C10H15ClN2O2/c1-6-4-7(5-13-10(6)11)9(15)8(14)2-3-12/h4-5,8-9,14-15H,2-3,12H2,1H3
InChIKeyJLYKMMQZVTWZTD-UHFFFAOYSA-N
MW230.69 g/mol
LogP0.79
Rot. Bonds4

About 4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol

4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol (PubChem CID 171880956) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol
PubChem CID171880956
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol
SMILESCc1cc(C(O)C(O)CCN)cnc1Cl
InChIInChI=1S/C10H15ClN2O2/c1-6-4-7(5-13-10(6)11)9(15)8(14)2-3-12/h4-5,8-9,14-15H,2-3,12H2,1H3
InChIKeyJLYKMMQZVTWZTD-UHFFFAOYSA-N
XLogP0.79
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butane-1,2-diol
CID 171889916
5-(4-amino-1,2-dihydroxybutyl)-3-methylpyridine-2-carbonitrile
CID 171881230
5-(4-amino-1,2-dihydroxybutyl)-2-chloropyridine-3-carboxylic acid
CID 171881681
4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900665
(1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol
CID 131124378
4-amino-1-(5-amino-6-methyl-3-pyridinyl)butane-1,2-diol
CID 171880918
4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol
CID 171880722
4-bromo-1-(5,6-dichloro-3-pyridinyl)butane-1,2-diol
CID 171891754
4-amino-1-(5-bromo-2-chloro-3-pyridinyl)butane-1,2-diol
CID 171882359
4-amino-1-(3-amino-5-chlorophenyl)butane-1,2-diol
CID 171880952
(2R)-2-[(S)-(6-chloro-5-methyl-3-pyridinyl)-hydroxymethyl]pent-4-ynoic acid
CID 122674358
1-(5-amino-6-chloro-3-pyridinyl)-3-chloropropane-1,2-diol
CID 171861677

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol?
The IUPAC name of 4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol (CID 171880956) is 4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol.
What is the SMILES notation for 4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol?
The canonical SMILES for 4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol is Cc1cc(C(O)C(O)CCN)cnc1Cl.
What is the InChIKey of 4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol?
The InChIKey is JLYKMMQZVTWZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-6-4-7(5-13-10(6)11)9(15)8(14)2-3-12/h4-5,8-9,14-15H,2-3,12H2,1H3.
What are the key properties of 4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol?
4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol has a molecular weight of 230.69 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol is sourced from PubChem (CID 171880956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).