[4-[5-(3-chloroanilino)-3-pyridinyl]phenyl]methanol

C18H15ClN2O — CID 44530398

IUPAC[4-[5-(3-chloroanilino)-3-pyridinyl]phenyl]methanol
SMILESOCc1ccc(-c2cncc(Nc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C18H15ClN2O/c19-16-2-1-3-17(9-16)21-18-8-15(10-20-11-18)14-6-4-13(12-22)5-7-14/h1-11,21-22H,12H2
InChIKeyDHASBUQVETXFTK-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.64
Rot. Bonds4

About [4-[5-(3-chloroanilino)-3-pyridinyl]phenyl]methanol

[4-[5-(3-chloroanilino)-3-pyridinyl]phenyl]methanol (PubChem CID 44530398) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is [4-[5-(3-chloroanilino)-3-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-(3-chloroanilino)-3-pyridinyl]phenyl]methanol
PubChem CID44530398
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name[4-[5-(3-chloroanilino)-3-pyridinyl]phenyl]methanol
SMILESOCc1ccc(-c2cncc(Nc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C18H15ClN2O/c19-16-2-1-3-17(9-16)21-18-8-15(10-20-11-18)14-6-4-13(12-22)5-7-14/h1-11,21-22H,12H2
InChIKeyDHASBUQVETXFTK-UHFFFAOYSA-N
XLogP4.64
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(3-chloroanilino)-3-pyridinyl]phenyl]methanol?
The IUPAC name of [4-[5-(3-chloroanilino)-3-pyridinyl]phenyl]methanol (CID 44530398) is [4-[5-(3-chloroanilino)-3-pyridinyl]phenyl]methanol.
What is the SMILES notation for [4-[5-(3-chloroanilino)-3-pyridinyl]phenyl]methanol?
The canonical SMILES for [4-[5-(3-chloroanilino)-3-pyridinyl]phenyl]methanol is OCc1ccc(-c2cncc(Nc3cccc(Cl)c3)c2)cc1.
What is the InChIKey of [4-[5-(3-chloroanilino)-3-pyridinyl]phenyl]methanol?
The InChIKey is DHASBUQVETXFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c19-16-2-1-3-17(9-16)21-18-8-15(10-20-11-18)14-6-4-13(12-22)5-7-14/h1-11,21-22H,12H2.
What are the key properties of [4-[5-(3-chloroanilino)-3-pyridinyl]phenyl]methanol?
[4-[5-(3-chloroanilino)-3-pyridinyl]phenyl]methanol has a molecular weight of 310.78 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3-chloroanilino)-3-pyridinyl]phenyl]methanol is sourced from PubChem (CID 44530398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).