1-(6-amino-4-methyl-2-pyridinyl)-4-chlorobutane-1,2-diol

C10H15ClN2O2 — CID 171893471

IUPAC1-(6-amino-4-methyl-2-pyridinyl)-4-chlorobutane-1,2-diol
SMILESCc1cc(N)nc(C(O)C(O)CCCl)c1
InChIInChI=1S/C10H15ClN2O2/c1-6-4-7(13-9(12)5-6)10(15)8(14)2-3-11/h4-5,8,10,14-15H,2-3H2,1H3,(H2,12,13)
InChIKeyZVJDEXZAAZEOAP-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.00
Rot. Bonds4

About 1-(6-amino-4-methyl-2-pyridinyl)-4-chlorobutane-1,2-diol

1-(6-amino-4-methyl-2-pyridinyl)-4-chlorobutane-1,2-diol (PubChem CID 171893471) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 1-(6-amino-4-methyl-2-pyridinyl)-4-chlorobutane-1,2-diol.

Molecular Properties

Compound Name1-(6-amino-4-methyl-2-pyridinyl)-4-chlorobutane-1,2-diol
PubChem CID171893471
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name1-(6-amino-4-methyl-2-pyridinyl)-4-chlorobutane-1,2-diol
SMILESCc1cc(N)nc(C(O)C(O)CCCl)c1
InChIInChI=1S/C10H15ClN2O2/c1-6-4-7(13-9(12)5-6)10(15)8(14)2-3-11/h4-5,8,10,14-15H,2-3H2,1H3,(H2,12,13)
InChIKeyZVJDEXZAAZEOAP-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-4-methyl-2-pyridinyl)-4-chlorobutane-1,2-diol?
The IUPAC name of 1-(6-amino-4-methyl-2-pyridinyl)-4-chlorobutane-1,2-diol (CID 171893471) is 1-(6-amino-4-methyl-2-pyridinyl)-4-chlorobutane-1,2-diol.
What is the SMILES notation for 1-(6-amino-4-methyl-2-pyridinyl)-4-chlorobutane-1,2-diol?
The canonical SMILES for 1-(6-amino-4-methyl-2-pyridinyl)-4-chlorobutane-1,2-diol is Cc1cc(N)nc(C(O)C(O)CCCl)c1.
What is the InChIKey of 1-(6-amino-4-methyl-2-pyridinyl)-4-chlorobutane-1,2-diol?
The InChIKey is ZVJDEXZAAZEOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-6-4-7(13-9(12)5-6)10(15)8(14)2-3-11/h4-5,8,10,14-15H,2-3H2,1H3,(H2,12,13).
What are the key properties of 1-(6-amino-4-methyl-2-pyridinyl)-4-chlorobutane-1,2-diol?
1-(6-amino-4-methyl-2-pyridinyl)-4-chlorobutane-1,2-diol has a molecular weight of 230.69 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-4-methyl-2-pyridinyl)-4-chlorobutane-1,2-diol is sourced from PubChem (CID 171893471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).