1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol

C12H14ClN3O — CID 114529824

IUPAC1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)c1ccc(Cl)nc1
InChIInChI=1S/C12H14ClN3O/c1-16-7-6-14-12(16)5-3-10(17)9-2-4-11(13)15-8-9/h2,4,6-8,10,17H,3,5H2,1H3
InChIKeyIDLOPBYUQACSIK-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.13
Rot. Bonds4

About 1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol

1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol (PubChem CID 114529824) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol
PubChem CID114529824
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)c1ccc(Cl)nc1
InChIInChI=1S/C12H14ClN3O/c1-16-7-6-14-12(16)5-3-10(17)9-2-4-11(13)15-8-9/h2,4,6-8,10,17H,3,5H2,1H3
InChIKeyIDLOPBYUQACSIK-UHFFFAOYSA-N
XLogP2.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 106695562
3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol
CID 114529061
1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 103217155
1-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529915
1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 107978722
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529055
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837988
1-(4-methoxy-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529108
1-(4-bromo-3,5-dimethylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529889
1-(3-bromo-4-methoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529049
1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529322
3-(1-methylimidazol-2-yl)-1-(2H-triazol-4-yl)propan-1-ol
CID 114529827

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol (CID 114529824) is 1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol is Cn1ccnc1CCC(O)c1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The InChIKey is IDLOPBYUQACSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-16-7-6-14-12(16)5-3-10(17)9-2-4-11(13)15-8-9/h2,4,6-8,10,17H,3,5H2,1H3.
What are the key properties of 1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol has a molecular weight of 251.72 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 114529824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).