(5R,6R)-6-chloro-5,6-dihydro-1,10-phenanthrolin-5-ol

C12H9ClN2O — CID 15356186

IUPAC(5R,6R)-6-chloro-5,6-dihydro-1,10-phenanthrolin-5-ol
SMILESO[C@@H]1c2cccnc2-c2ncccc2[C@H]1Cl
InChIInChI=1S/C12H9ClN2O/c13-9-7-3-1-5-14-10(7)11-8(12(9)16)4-2-6-15-11/h1-6,9,12,16H/t9-,12-/m1/s1
InChIKeyPXCZMNMKUCWYCN-BXKDBHETSA-N
MW232.67 g/mol
LogP2.47
Rot. Bonds

About (5R,6R)-6-chloro-5,6-dihydro-1,10-phenanthrolin-5-ol

(5R,6R)-6-chloro-5,6-dihydro-1,10-phenanthrolin-5-ol (PubChem CID 15356186) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is (5R,6R)-6-chloro-5,6-dihydro-1,10-phenanthrolin-5-ol.

Molecular Properties

Compound Name(5R,6R)-6-chloro-5,6-dihydro-1,10-phenanthrolin-5-ol
PubChem CID15356186
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name(5R,6R)-6-chloro-5,6-dihydro-1,10-phenanthrolin-5-ol
SMILESO[C@@H]1c2cccnc2-c2ncccc2[C@H]1Cl
InChIInChI=1S/C12H9ClN2O/c13-9-7-3-1-5-14-10(7)11-8(12(9)16)4-2-6-15-11/h1-6,9,12,16H/t9-,12-/m1/s1
InChIKeyPXCZMNMKUCWYCN-BXKDBHETSA-N
XLogP2.47
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(1R,14R)-6,9,15,18,21,24-hexazatetracyclo[12.10.0.02,7.08,13]tetracosa-2(7),3,5,8(13),9,11-hexaene
CID 70256275
8-phenyl-5,6-dihydropyrido[2,3-d]pyridazin-5-ol
CID 18399544
3-chloro-2-(3-chloro-2-pyridinyl)pyridine;palladium(2+)
CID 18935247
(3R,4S)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-3,4-diol
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CID 155004666
1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone
CID 126758698
(5R)-6-cyclohexylidene-5-hydroxy-5H-cyclopenta[b]pyridin-7-one
CID 135028717
5-[ethyl(methyl)amino]-5,6-dihydro-1,9-phenanthrolin-6-ol
CID 126706633

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-chloro-5,6-dihydro-1,10-phenanthrolin-5-ol?
The IUPAC name of (5R,6R)-6-chloro-5,6-dihydro-1,10-phenanthrolin-5-ol (CID 15356186) is (5R,6R)-6-chloro-5,6-dihydro-1,10-phenanthrolin-5-ol.
What is the SMILES notation for (5R,6R)-6-chloro-5,6-dihydro-1,10-phenanthrolin-5-ol?
The canonical SMILES for (5R,6R)-6-chloro-5,6-dihydro-1,10-phenanthrolin-5-ol is O[C@@H]1c2cccnc2-c2ncccc2[C@H]1Cl.
What is the InChIKey of (5R,6R)-6-chloro-5,6-dihydro-1,10-phenanthrolin-5-ol?
The InChIKey is PXCZMNMKUCWYCN-BXKDBHETSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-9-7-3-1-5-14-10(7)11-8(12(9)16)4-2-6-15-11/h1-6,9,12,16H/t9-,12-/m1/s1.
What are the key properties of (5R,6R)-6-chloro-5,6-dihydro-1,10-phenanthrolin-5-ol?
(5R,6R)-6-chloro-5,6-dihydro-1,10-phenanthrolin-5-ol has a molecular weight of 232.67 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-chloro-5,6-dihydro-1,10-phenanthrolin-5-ol is sourced from PubChem (CID 15356186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).