2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol

C8H11ClN2O — CID 21073242

IUPAC2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol
SMILESCC(C)(O)c1cnc(Cl)cc1N
InChIInChI=1S/C8H11ClN2O/c1-8(2,12)5-4-11-7(9)3-6(5)10/h3-4,12H,1-2H3,(H2,10,11)
InChIKeyXCPXIDVPBVJYCO-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.54
Rot. Bonds1

About 2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol

2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol (PubChem CID 21073242) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol
PubChem CID21073242
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol
SMILESCC(C)(O)c1cnc(Cl)cc1N
InChIInChI=1S/C8H11ClN2O/c1-8(2,12)5-4-11-7(9)3-6(5)10/h3-4,12H,1-2H3,(H2,10,11)
InChIKeyXCPXIDVPBVJYCO-UHFFFAOYSA-N
XLogP1.54
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.54
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol?
The IUPAC name of 2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol (CID 21073242) is 2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol.
What is the SMILES notation for 2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol?
The canonical SMILES for 2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol is CC(C)(O)c1cnc(Cl)cc1N.
What is the InChIKey of 2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol?
The InChIKey is XCPXIDVPBVJYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-8(2,12)5-4-11-7(9)3-6(5)10/h3-4,12H,1-2H3,(H2,10,11).
What are the key properties of 2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol?
2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol has a molecular weight of 186.64 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 21073242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).