2-(2-chloro-4-pyridinyl)-1-cyclopropylpropan-2-ol

C11H14ClNO — CID 123306255

IUPAC2-(2-chloro-4-pyridinyl)-1-cyclopropylpropan-2-ol
SMILESCC(O)(CC1CC1)c1ccnc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-11(14,7-8-2-3-8)9-4-5-13-10(12)6-9/h4-6,8,14H,2-3,7H2,1H3
InChIKeySJHXKVMHKMTCBF-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.74
Rot. Bonds3

About 2-(2-chloro-4-pyridinyl)-1-cyclopropylpropan-2-ol

2-(2-chloro-4-pyridinyl)-1-cyclopropylpropan-2-ol (PubChem CID 123306255) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)-1-cyclopropylpropan-2-ol.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)-1-cyclopropylpropan-2-ol
PubChem CID123306255
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-(2-chloro-4-pyridinyl)-1-cyclopropylpropan-2-ol
SMILESCC(O)(CC1CC1)c1ccnc(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-11(14,7-8-2-3-8)9-4-5-13-10(12)6-9/h4-6,8,14H,2-3,7H2,1H3
InChIKeySJHXKVMHKMTCBF-UHFFFAOYSA-N
XLogP2.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-chloro-4-pyridinyl)-1-cyclopropylpropan-2-ol?
The IUPAC name of 2-(2-chloro-4-pyridinyl)-1-cyclopropylpropan-2-ol (CID 123306255) is 2-(2-chloro-4-pyridinyl)-1-cyclopropylpropan-2-ol.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)-1-cyclopropylpropan-2-ol?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)-1-cyclopropylpropan-2-ol is CC(O)(CC1CC1)c1ccnc(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)-1-cyclopropylpropan-2-ol?
The InChIKey is SJHXKVMHKMTCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-11(14,7-8-2-3-8)9-4-5-13-10(12)6-9/h4-6,8,14H,2-3,7H2,1H3.
What are the key properties of 2-(2-chloro-4-pyridinyl)-1-cyclopropylpropan-2-ol?
2-(2-chloro-4-pyridinyl)-1-cyclopropylpropan-2-ol has a molecular weight of 211.69 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyridinyl)-1-cyclopropylpropan-2-ol is sourced from PubChem (CID 123306255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).