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

C10H15ClN2O — CID 122501475

IUPAC3-(3-amino-2-chloro-4-pyridinyl)-3-methylbutan-1-ol
SMILESCC(C)(CCO)c1ccnc(Cl)c1N
InChIInChI=1S/C10H15ClN2O/c1-10(2,4-6-14)7-3-5-13-9(11)8(7)12/h3,5,14H,4,6,12H2,1-2H3
InChIKeyYFBSWFJAXCUBML-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.98
Rot. Bonds3

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

3-(3-amino-2-chloro-4-pyridinyl)-3-methylbutan-1-ol (PubChem CID 122501475) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 3-(3-amino-2-chloro-4-pyridinyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(3-amino-2-chloro-4-pyridinyl)-3-methylbutan-1-ol
PubChem CID122501475
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name3-(3-amino-2-chloro-4-pyridinyl)-3-methylbutan-1-ol
SMILESCC(C)(CCO)c1ccnc(Cl)c1N
InChIInChI=1S/C10H15ClN2O/c1-10(2,4-6-14)7-3-5-13-9(11)8(7)12/h3,5,14H,4,6,12H2,1-2H3
InChIKeyYFBSWFJAXCUBML-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
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 3-(3-amino-2-chloro-4-pyridinyl)-3-methylbutan-1-ol?
The IUPAC name of 3-(3-amino-2-chloro-4-pyridinyl)-3-methylbutan-1-ol (CID 122501475) is 3-(3-amino-2-chloro-4-pyridinyl)-3-methylbutan-1-ol.
What is the SMILES notation for 3-(3-amino-2-chloro-4-pyridinyl)-3-methylbutan-1-ol?
The canonical SMILES for 3-(3-amino-2-chloro-4-pyridinyl)-3-methylbutan-1-ol is CC(C)(CCO)c1ccnc(Cl)c1N.
What is the InChIKey of 3-(3-amino-2-chloro-4-pyridinyl)-3-methylbutan-1-ol?
The InChIKey is YFBSWFJAXCUBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-10(2,4-6-14)7-3-5-13-9(11)8(7)12/h3,5,14H,4,6,12H2,1-2H3.
What are the key properties of 3-(3-amino-2-chloro-4-pyridinyl)-3-methylbutan-1-ol?
3-(3-amino-2-chloro-4-pyridinyl)-3-methylbutan-1-ol has a molecular weight of 214.70 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-chloro-4-pyridinyl)-3-methylbutan-1-ol is sourced from PubChem (CID 122501475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).