4-[2-amino-5-(4-chlorophenyl)-4-ethyl-3-pyridinyl]phenol

C19H17ClN2O — CID 122531711

IUPAC4-[2-amino-5-(4-chlorophenyl)-4-ethyl-3-pyridinyl]phenol
SMILESCCc1c(-c2ccc(Cl)cc2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C19H17ClN2O/c1-2-16-17(12-3-7-14(20)8-4-12)11-22-19(21)18(16)13-5-9-15(23)10-6-13/h3-11,23H,2H2,1H3,(H2,21,22)
InChIKeyUATGLRYKYYREMW-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.92
Rot. Bonds3

About 4-[2-amino-5-(4-chlorophenyl)-4-ethyl-3-pyridinyl]phenol

4-[2-amino-5-(4-chlorophenyl)-4-ethyl-3-pyridinyl]phenol (PubChem CID 122531711) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 4-[2-amino-5-(4-chlorophenyl)-4-ethyl-3-pyridinyl]phenol.

Molecular Properties

Compound Name4-[2-amino-5-(4-chlorophenyl)-4-ethyl-3-pyridinyl]phenol
PubChem CID122531711
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name4-[2-amino-5-(4-chlorophenyl)-4-ethyl-3-pyridinyl]phenol
SMILESCCc1c(-c2ccc(Cl)cc2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C19H17ClN2O/c1-2-16-17(12-3-7-14(20)8-4-12)11-22-19(21)18(16)13-5-9-15(23)10-6-13/h3-11,23H,2H2,1H3,(H2,21,22)
InChIKeyUATGLRYKYYREMW-UHFFFAOYSA-N
XLogP4.92
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(4-chlorophenyl)-4-ethyl-3-pyridinyl]phenol?
The IUPAC name of 4-[2-amino-5-(4-chlorophenyl)-4-ethyl-3-pyridinyl]phenol (CID 122531711) is 4-[2-amino-5-(4-chlorophenyl)-4-ethyl-3-pyridinyl]phenol.
What is the SMILES notation for 4-[2-amino-5-(4-chlorophenyl)-4-ethyl-3-pyridinyl]phenol?
The canonical SMILES for 4-[2-amino-5-(4-chlorophenyl)-4-ethyl-3-pyridinyl]phenol is CCc1c(-c2ccc(Cl)cc2)cnc(N)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[2-amino-5-(4-chlorophenyl)-4-ethyl-3-pyridinyl]phenol?
The InChIKey is UATGLRYKYYREMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-2-16-17(12-3-7-14(20)8-4-12)11-22-19(21)18(16)13-5-9-15(23)10-6-13/h3-11,23H,2H2,1H3,(H2,21,22).
What are the key properties of 4-[2-amino-5-(4-chlorophenyl)-4-ethyl-3-pyridinyl]phenol?
4-[2-amino-5-(4-chlorophenyl)-4-ethyl-3-pyridinyl]phenol has a molecular weight of 324.81 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(4-chlorophenyl)-4-ethyl-3-pyridinyl]phenol is sourced from PubChem (CID 122531711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).