1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol

C16H20N2O2 — CID 10849809

IUPAC1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(-c2ccc(C(O)CC)cn2)nc1
InChIInChI=1S/C16H20N2O2/c1-3-15(19)11-5-7-13(17-9-11)14-8-6-12(10-18-14)16(20)4-2/h5-10,15-16,19-20H,3-4H2,1-2H3
InChIKeyOJDCWGDVNZXWBL-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.03
Rot. Bonds5

About 1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol

1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol (PubChem CID 10849809) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol
PubChem CID10849809
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(-c2ccc(C(O)CC)cn2)nc1
InChIInChI=1S/C16H20N2O2/c1-3-15(19)11-5-7-13(17-9-11)14-8-6-12(10-18-14)16(20)4-2/h5-10,15-16,19-20H,3-4H2,1-2H3
InChIKeyOJDCWGDVNZXWBL-UHFFFAOYSA-N
XLogP3.03
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methylsulfanyl-3-pyridinyl)propan-1-ol
CID 102546555
(1S)-1-(6-tert-butylsulfanyl-3-pyridinyl)propan-1-ol
CID 124503049
N-[5-[(1S)-1-hydroxypropyl]-2-pyridinyl]acetamide
CID 54369170
(1S)-1-(6-anilino-3-pyridinyl)propan-1-ol
CID 124502835
(1R)-1-(6-phenylsulfanyl-3-pyridinyl)propan-1-ol
CID 124502785
1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol
CID 102546754
(1R)-1-(6-iodo-5-methyl-3-pyridinyl)propan-1-ol
CID 124503154
1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol
CID 174900127
3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol
CID 104823060
(1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol
CID 124503041
(1R)-1-(4-methylphenyl)propan-1-ol;propane
CID 144859103
(1S)-1-pyrimidin-5-ylpropan-1-ol
CID 15812275

Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol?
The IUPAC name of 1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol (CID 10849809) is 1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol is CCC(O)c1ccc(-c2ccc(C(O)CC)cn2)nc1.
What is the InChIKey of 1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol?
The InChIKey is OJDCWGDVNZXWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-15(19)11-5-7-13(17-9-11)14-8-6-12(10-18-14)16(20)4-2/h5-10,15-16,19-20H,3-4H2,1-2H3.
What are the key properties of 1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol?
1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol has a molecular weight of 272.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(1-hydroxypropyl)-2-pyridinyl]-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 10849809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).