4-[5-[(4-chlorophenyl)methylamino]-3-pyridinyl]phenol

C18H15ClN2O — CID 11666742

IUPAC4-[5-[(4-chlorophenyl)methylamino]-3-pyridinyl]phenol
SMILESOc1ccc(-c2cncc(NCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C18H15ClN2O/c19-16-5-1-13(2-6-16)10-21-17-9-15(11-20-12-17)14-3-7-18(22)8-4-14/h1-9,11-12,21-22H,10H2
InChIKeyWCNFWGYWAMKIHV-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.72
Rot. Bonds4

About 4-[5-[(4-chlorophenyl)methylamino]-3-pyridinyl]phenol

4-[5-[(4-chlorophenyl)methylamino]-3-pyridinyl]phenol (PubChem CID 11666742) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 4-[5-[(4-chlorophenyl)methylamino]-3-pyridinyl]phenol.

Molecular Properties

Compound Name4-[5-[(4-chlorophenyl)methylamino]-3-pyridinyl]phenol
PubChem CID11666742
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name4-[5-[(4-chlorophenyl)methylamino]-3-pyridinyl]phenol
SMILESOc1ccc(-c2cncc(NCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C18H15ClN2O/c19-16-5-1-13(2-6-16)10-21-17-9-15(11-20-12-17)14-3-7-18(22)8-4-14/h1-9,11-12,21-22H,10H2
InChIKeyWCNFWGYWAMKIHV-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-chlorophenyl)methylamino]-3-pyridinyl]phenol?
The IUPAC name of 4-[5-[(4-chlorophenyl)methylamino]-3-pyridinyl]phenol (CID 11666742) is 4-[5-[(4-chlorophenyl)methylamino]-3-pyridinyl]phenol.
What is the SMILES notation for 4-[5-[(4-chlorophenyl)methylamino]-3-pyridinyl]phenol?
The canonical SMILES for 4-[5-[(4-chlorophenyl)methylamino]-3-pyridinyl]phenol is Oc1ccc(-c2cncc(NCc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 4-[5-[(4-chlorophenyl)methylamino]-3-pyridinyl]phenol?
The InChIKey is WCNFWGYWAMKIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c19-16-5-1-13(2-6-16)10-21-17-9-15(11-20-12-17)14-3-7-18(22)8-4-14/h1-9,11-12,21-22H,10H2.
What are the key properties of 4-[5-[(4-chlorophenyl)methylamino]-3-pyridinyl]phenol?
4-[5-[(4-chlorophenyl)methylamino]-3-pyridinyl]phenol has a molecular weight of 310.78 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-chlorophenyl)methylamino]-3-pyridinyl]phenol is sourced from PubChem (CID 11666742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).