(1R)-1-(6-iodo-5-methyl-3-pyridinyl)propan-1-ol

C9H12INO — CID 124503154

IUPAC(1R)-1-(6-iodo-5-methyl-3-pyridinyl)propan-1-ol
SMILESCC[C@@H](O)c1cnc(I)c(C)c1
InChIInChI=1S/C9H12INO/c1-3-8(12)7-4-6(2)9(10)11-5-7/h4-5,8,12H,3H2,1-2H3/t8-/m1/s1
InChIKeyNKORPYBWUZIIJC-MRVPVSSYSA-N
MW277.11 g/mol
LogP2.44
Rot. Bonds2

About (1R)-1-(6-iodo-5-methyl-3-pyridinyl)propan-1-ol

(1R)-1-(6-iodo-5-methyl-3-pyridinyl)propan-1-ol (PubChem CID 124503154) has the molecular formula C9H12INO and a molecular weight of 277.11 g/mol. Its IUPAC name is (1R)-1-(6-iodo-5-methyl-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-1-(6-iodo-5-methyl-3-pyridinyl)propan-1-ol
PubChem CID124503154
Molecular FormulaC9H12INO
Molecular Weight277.11 g/mol
Exact Mass277.00
IUPAC Name(1R)-1-(6-iodo-5-methyl-3-pyridinyl)propan-1-ol
SMILESCC[C@@H](O)c1cnc(I)c(C)c1
InChIInChI=1S/C9H12INO/c1-3-8(12)7-4-6(2)9(10)11-5-7/h4-5,8,12H,3H2,1-2H3/t8-/m1/s1
InChIKeyNKORPYBWUZIIJC-MRVPVSSYSA-N
XLogP2.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[6-(diethylamino)-5-methyl-3-pyridinyl]propan-1-ol
CID 124501319
1-(6-tert-butylsulfanyl-5-methyl-3-pyridinyl)propan-1-ol
CID 102545043
(1R)-1-[6-(dipropylamino)-5-methyl-3-pyridinyl]propan-1-ol
CID 124501331
(1R)-1-(6-iodo-5-methyl-3-pyridinyl)ethanamine
CID 124503157
1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol
CID 10849809
1-[6-(cyclopropylamino)-5-methyl-3-pyridinyl]propan-1-ol
CID 102545010
(1R)-1-(6-anilino-5-methyl-3-pyridinyl)propan-1-ol
CID 124501345
(1R)-1-(5-methyl-6-phenylmethoxy-3-pyridinyl)propan-1-ol
CID 124501397
1-(5,6-dimethyl-3-pyridinyl)butan-1-ol
CID 130560260
(1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol
CID 124501540
(6-iodo-5-methyl-3-pyridinyl)methanol
CID 54084953
1-(2,6-dimethyl-4-pyridinyl)propan-1-ol
CID 107502848

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-iodo-5-methyl-3-pyridinyl)propan-1-ol?
The IUPAC name of (1R)-1-(6-iodo-5-methyl-3-pyridinyl)propan-1-ol (CID 124503154) is (1R)-1-(6-iodo-5-methyl-3-pyridinyl)propan-1-ol.
What is the SMILES notation for (1R)-1-(6-iodo-5-methyl-3-pyridinyl)propan-1-ol?
The canonical SMILES for (1R)-1-(6-iodo-5-methyl-3-pyridinyl)propan-1-ol is CC[C@@H](O)c1cnc(I)c(C)c1.
What is the InChIKey of (1R)-1-(6-iodo-5-methyl-3-pyridinyl)propan-1-ol?
The InChIKey is NKORPYBWUZIIJC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12INO/c1-3-8(12)7-4-6(2)9(10)11-5-7/h4-5,8,12H,3H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-(6-iodo-5-methyl-3-pyridinyl)propan-1-ol?
(1R)-1-(6-iodo-5-methyl-3-pyridinyl)propan-1-ol has a molecular weight of 277.11 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-iodo-5-methyl-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 124503154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).