(1S,2S)-1-iodo-1-(6-methoxy-2-pyridinyl)propan-2-ol

C9H12INO2 — CID 137495708

IUPAC(1S,2S)-1-iodo-1-(6-methoxy-2-pyridinyl)propan-2-ol
SMILESCOc1cccc([C@H](I)[C@H](C)O)n1
InChIInChI=1S/C9H12INO2/c1-6(12)9(10)7-4-3-5-8(11-7)13-2/h3-6,9,12H,1-2H3/t6-,9+/m0/s1
InChIKeyNPNLPGGXJRKYOO-IMTBSYHQSA-N
MW293.10 g/mol
LogP1.95
Rot. Bonds3

About (1S,2S)-1-iodo-1-(6-methoxy-2-pyridinyl)propan-2-ol

(1S,2S)-1-iodo-1-(6-methoxy-2-pyridinyl)propan-2-ol (PubChem CID 137495708) has the molecular formula C9H12INO2 and a molecular weight of 293.10 g/mol. Its IUPAC name is (1S,2S)-1-iodo-1-(6-methoxy-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-iodo-1-(6-methoxy-2-pyridinyl)propan-2-ol
PubChem CID137495708
Molecular FormulaC9H12INO2
Molecular Weight293.10 g/mol
Exact Mass292.99
IUPAC Name(1S,2S)-1-iodo-1-(6-methoxy-2-pyridinyl)propan-2-ol
SMILESCOc1cccc([C@H](I)[C@H](C)O)n1
InChIInChI=1S/C9H12INO2/c1-6(12)9(10)7-4-3-5-8(11-7)13-2/h3-6,9,12H,1-2H3/t6-,9+/m0/s1
InChIKeyNPNLPGGXJRKYOO-IMTBSYHQSA-N
XLogP1.95
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.10
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methoxy-2-pyridinyl)butan-2-ol
CID 63588761
2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 82654871
1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 103348126
1-(6-methoxy-2-pyridinyl)-2,2-dimethylpropan-1-ol
CID 10679382
3-amino-1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-ol
CID 103348723
3-amino-1-(6-methoxy-2-pyridinyl)propane-1,2-diol
CID 170827832
[(6-methoxy-2-pyridinyl)-trimethylsilylmethyl]-trimethylsilane
CID 58835865
1-(6-methoxy-2-pyridinyl)ethylhydrazine
CID 53402364
(3,4-dimethylphenyl)-(6-methoxy-2-pyridinyl)methanol
CID 103348134
2-amino-1-(6-methoxy-2-pyridinyl)-3-phenylpropan-1-ol
CID 103347781
2,3-dihydroxy-3-(6-methoxy-2-pyridinyl)propanamide
CID 171867949
2-(6-methoxy-2-pyridinyl)propanedial
CID 89007961

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-iodo-1-(6-methoxy-2-pyridinyl)propan-2-ol?
The IUPAC name of (1S,2S)-1-iodo-1-(6-methoxy-2-pyridinyl)propan-2-ol (CID 137495708) is (1S,2S)-1-iodo-1-(6-methoxy-2-pyridinyl)propan-2-ol.
What is the SMILES notation for (1S,2S)-1-iodo-1-(6-methoxy-2-pyridinyl)propan-2-ol?
The canonical SMILES for (1S,2S)-1-iodo-1-(6-methoxy-2-pyridinyl)propan-2-ol is COc1cccc([C@H](I)[C@H](C)O)n1.
What is the InChIKey of (1S,2S)-1-iodo-1-(6-methoxy-2-pyridinyl)propan-2-ol?
The InChIKey is NPNLPGGXJRKYOO-IMTBSYHQSA-N. The full InChI is InChI=1S/C9H12INO2/c1-6(12)9(10)7-4-3-5-8(11-7)13-2/h3-6,9,12H,1-2H3/t6-,9+/m0/s1.
What are the key properties of (1S,2S)-1-iodo-1-(6-methoxy-2-pyridinyl)propan-2-ol?
(1S,2S)-1-iodo-1-(6-methoxy-2-pyridinyl)propan-2-ol has a molecular weight of 293.10 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-iodo-1-(6-methoxy-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 137495708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).