(2S)-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butan-2-ol

C15H18N2O — CID 86336472

IUPAC(2S)-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butan-2-ol
SMILESCc1ccnc(-c2cc(CC[C@H](C)O)ccn2)c1
InChIInChI=1S/C15H18N2O/c1-11-5-7-16-14(9-11)15-10-13(6-8-17-15)4-3-12(2)18/h5-10,12,18H,3-4H2,1-2H3/t12-/m0/s1
InChIKeyUZBGOAGTUKTUBX-LBPRGKRZSA-N
MW242.32 g/mol
LogP2.77
Rot. Bonds4

About (2S)-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butan-2-ol

(2S)-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butan-2-ol (PubChem CID 86336472) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (2S)-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butan-2-ol.

Molecular Properties

Compound Name(2S)-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butan-2-ol
PubChem CID86336472
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(2S)-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butan-2-ol
SMILESCc1ccnc(-c2cc(CC[C@H](C)O)ccn2)c1
InChIInChI=1S/C15H18N2O/c1-11-5-7-16-14(9-11)15-10-13(6-8-17-15)4-3-12(2)18/h5-10,12,18H,3-4H2,1-2H3/t12-/m0/s1
InChIKeyUZBGOAGTUKTUBX-LBPRGKRZSA-N
XLogP2.77
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butan-2-ol with MolForge

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Related Compounds

2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethanol
CID 14324169
iron(3+);tris(2-(4-methyl-2-pyridinyl)-4-(2-pyridin-4-ylethyl)pyridine)
CID 175883888
2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine
CID 12820693
copper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 23557697
tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+)
CID 154828609
7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptanoic acid
CID 121355475
sodium;2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;pentane-2,4-diol;ruthenium
CID 20609466
2-[4-(2-bromoethyl)-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 20704991
2,3-diamino-N-[7-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]heptyl]propanamide
CID 101361615
2-[4-(bromomethyl)-2-pyridinyl]-4-methylpyridine;2-(4-ethyl-2-pyridinyl)-4-methylpyridine
CID 159642899
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;oxovanadium
CID 139924983
4-[methyl-(4-methyl-2-pyridinyl)amino]butan-2-ol
CID 115695412

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butan-2-ol?
The IUPAC name of (2S)-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butan-2-ol (CID 86336472) is (2S)-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butan-2-ol.
What is the SMILES notation for (2S)-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butan-2-ol?
The canonical SMILES for (2S)-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butan-2-ol is Cc1ccnc(-c2cc(CC[C@H](C)O)ccn2)c1.
What is the InChIKey of (2S)-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butan-2-ol?
The InChIKey is UZBGOAGTUKTUBX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-5-7-16-14(9-11)15-10-13(6-8-17-15)4-3-12(2)18/h5-10,12,18H,3-4H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butan-2-ol?
(2S)-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butan-2-ol has a molecular weight of 242.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]butan-2-ol is sourced from PubChem (CID 86336472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).