[4-[5-[(3,4-dichlorophenyl)methylamino]-3-pyridinyl]phenyl]methanol

C19H16Cl2N2O — CID 71424003

IUPAC[4-[5-[(3,4-dichlorophenyl)methylamino]-3-pyridinyl]phenyl]methanol
SMILESOCc1ccc(-c2cncc(NCc3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C19H16Cl2N2O/c20-18-6-3-14(7-19(18)21)9-23-17-8-16(10-22-11-17)15-4-1-13(12-24)2-5-15/h1-8,10-11,23-24H,9,12H2
InChIKeyIBLYXYSKBLCSNH-UHFFFAOYSA-N
MW359.26 g/mol
LogP5.16
Rot. Bonds5

About [4-[5-[(3,4-dichlorophenyl)methylamino]-3-pyridinyl]phenyl]methanol

[4-[5-[(3,4-dichlorophenyl)methylamino]-3-pyridinyl]phenyl]methanol (PubChem CID 71424003) has the molecular formula C19H16Cl2N2O and a molecular weight of 359.26 g/mol. Its IUPAC name is [4-[5-[(3,4-dichlorophenyl)methylamino]-3-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-[(3,4-dichlorophenyl)methylamino]-3-pyridinyl]phenyl]methanol
PubChem CID71424003
Molecular FormulaC19H16Cl2N2O
Molecular Weight359.26 g/mol
Exact Mass358.06
IUPAC Name[4-[5-[(3,4-dichlorophenyl)methylamino]-3-pyridinyl]phenyl]methanol
SMILESOCc1ccc(-c2cncc(NCc3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C19H16Cl2N2O/c20-18-6-3-14(7-19(18)21)9-23-17-8-16(10-22-11-17)15-4-1-13(12-24)2-5-15/h1-8,10-11,23-24H,9,12H2
InChIKeyIBLYXYSKBLCSNH-UHFFFAOYSA-N
XLogP5.16
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.26
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[(3,4-dichlorophenyl)methylamino]-3-pyridinyl]phenyl]methanol?
The IUPAC name of [4-[5-[(3,4-dichlorophenyl)methylamino]-3-pyridinyl]phenyl]methanol (CID 71424003) is [4-[5-[(3,4-dichlorophenyl)methylamino]-3-pyridinyl]phenyl]methanol.
What is the SMILES notation for [4-[5-[(3,4-dichlorophenyl)methylamino]-3-pyridinyl]phenyl]methanol?
The canonical SMILES for [4-[5-[(3,4-dichlorophenyl)methylamino]-3-pyridinyl]phenyl]methanol is OCc1ccc(-c2cncc(NCc3ccc(Cl)c(Cl)c3)c2)cc1.
What is the InChIKey of [4-[5-[(3,4-dichlorophenyl)methylamino]-3-pyridinyl]phenyl]methanol?
The InChIKey is IBLYXYSKBLCSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O/c20-18-6-3-14(7-19(18)21)9-23-17-8-16(10-22-11-17)15-4-1-13(12-24)2-5-15/h1-8,10-11,23-24H,9,12H2.
What are the key properties of [4-[5-[(3,4-dichlorophenyl)methylamino]-3-pyridinyl]phenyl]methanol?
[4-[5-[(3,4-dichlorophenyl)methylamino]-3-pyridinyl]phenyl]methanol has a molecular weight of 359.26 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(3,4-dichlorophenyl)methylamino]-3-pyridinyl]phenyl]methanol is sourced from PubChem (CID 71424003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).