2,3-bis[2-[4-(2-hydroxyethyl)-2-pyridinyl]-4-pyridinyl]propan-1-ol

C27H28N4O3 — CID 102470277

IUPAC2,3-bis[2-[4-(2-hydroxyethyl)-2-pyridinyl]-4-pyridinyl]propan-1-ol
SMILESOCCc1ccnc(-c2cc(CC(CO)c3ccnc(-c4cc(CCO)ccn4)c3)ccn2)c1
InChIInChI=1S/C27H28N4O3/c32-11-5-19-1-7-28-24(14-19)26-16-21(3-9-30-26)13-23(18-34)22-4-10-31-27(17-22)25-15-20(6-12-33)2-8-29-25/h1-4,7-10,14-17,23,32-34H,5-6,11-13,18H2
InChIKeyGPQLAGPRAVWJKK-UHFFFAOYSA-N
MW456.55 g/mol
LogP2.99
Rot. Bonds10

About 2,3-bis[2-[4-(2-hydroxyethyl)-2-pyridinyl]-4-pyridinyl]propan-1-ol

2,3-bis[2-[4-(2-hydroxyethyl)-2-pyridinyl]-4-pyridinyl]propan-1-ol (PubChem CID 102470277) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 2,3-bis[2-[4-(2-hydroxyethyl)-2-pyridinyl]-4-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name2,3-bis[2-[4-(2-hydroxyethyl)-2-pyridinyl]-4-pyridinyl]propan-1-ol
PubChem CID102470277
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name2,3-bis[2-[4-(2-hydroxyethyl)-2-pyridinyl]-4-pyridinyl]propan-1-ol
SMILESOCCc1ccnc(-c2cc(CC(CO)c3ccnc(-c4cc(CCO)ccn4)c3)ccn2)c1
InChIInChI=1S/C27H28N4O3/c32-11-5-19-1-7-28-24(14-19)26-16-21(3-9-30-26)13-23(18-34)22-4-10-31-27(17-22)25-15-20(6-12-33)2-8-29-25/h1-4,7-10,14-17,23,32-34H,5-6,11-13,18H2
InChIKeyGPQLAGPRAVWJKK-UHFFFAOYSA-N
XLogP2.99
TPSA112.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol
CID 14324169
2-[2-[4-(methoxymethyl)-2-pyridinyl]-4-pyridinyl]ethanol
CID 122547918
2-(2-phenyl-4-pyridinyl)ethanol
CID 117001628
2-[2-(2-chlorophenyl)-4-pyridinyl]ethanol
CID 117001635
tris([2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol);ruthenium(2+);dichloride
CID 170900756
2-[2-(3-fluorophenyl)-4-pyridinyl]ethanol
CID 117001633
4-(2-chloroethyl)-2-[4-(2-chloroethyl)-2-pyridinyl]pyridine
CID 173417811
2-[2-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-pyridinyl]ethanol
CID 118693508
3-[2-[4-(2-carboxyethyl)-2-pyridinyl]-4-pyridinyl]-4-ethoxy-4-oxobutanoic acid
CID 67602462
(2S)-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butan-2-ol
CID 86336472
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
CID 11283283

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[2-[4-(2-hydroxyethyl)-2-pyridinyl]-4-pyridinyl]propan-1-ol?
The IUPAC name of 2,3-bis[2-[4-(2-hydroxyethyl)-2-pyridinyl]-4-pyridinyl]propan-1-ol (CID 102470277) is 2,3-bis[2-[4-(2-hydroxyethyl)-2-pyridinyl]-4-pyridinyl]propan-1-ol.
What is the SMILES notation for 2,3-bis[2-[4-(2-hydroxyethyl)-2-pyridinyl]-4-pyridinyl]propan-1-ol?
The canonical SMILES for 2,3-bis[2-[4-(2-hydroxyethyl)-2-pyridinyl]-4-pyridinyl]propan-1-ol is OCCc1ccnc(-c2cc(CC(CO)c3ccnc(-c4cc(CCO)ccn4)c3)ccn2)c1.
What is the InChIKey of 2,3-bis[2-[4-(2-hydroxyethyl)-2-pyridinyl]-4-pyridinyl]propan-1-ol?
The InChIKey is GPQLAGPRAVWJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c32-11-5-19-1-7-28-24(14-19)26-16-21(3-9-30-26)13-23(18-34)22-4-10-31-27(17-22)25-15-20(6-12-33)2-8-29-25/h1-4,7-10,14-17,23,32-34H,5-6,11-13,18H2.
What are the key properties of 2,3-bis[2-[4-(2-hydroxyethyl)-2-pyridinyl]-4-pyridinyl]propan-1-ol?
2,3-bis[2-[4-(2-hydroxyethyl)-2-pyridinyl]-4-pyridinyl]propan-1-ol has a molecular weight of 456.55 g/mol, XLogP of 2.99, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[2-[4-(2-hydroxyethyl)-2-pyridinyl]-4-pyridinyl]propan-1-ol is sourced from PubChem (CID 102470277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).