[3-[2-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]methanol

C18H15ClN2O — CID 70694476

IUPAC[3-[2-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]methanol
SMILESNc1ncc(-c2ccc(Cl)cc2)cc1-c1cccc(CO)c1
InChIInChI=1S/C18H15ClN2O/c19-16-6-4-13(5-7-16)15-9-17(18(20)21-10-15)14-3-1-2-12(8-14)11-22/h1-10,22H,11H2,(H2,20,21)
InChIKeyKFENVBWBHOEPQW-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.14
Rot. Bonds3

About [3-[2-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]methanol

[3-[2-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]methanol (PubChem CID 70694476) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is [3-[2-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]methanol
PubChem CID70694476
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name[3-[2-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]methanol
SMILESNc1ncc(-c2ccc(Cl)cc2)cc1-c1cccc(CO)c1
InChIInChI=1S/C18H15ClN2O/c19-16-6-4-13(5-7-16)15-9-17(18(20)21-10-15)14-3-1-2-12(8-14)11-22/h1-10,22H,11H2,(H2,20,21)
InChIKeyKFENVBWBHOEPQW-UHFFFAOYSA-N
XLogP4.14
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[2-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]methanol?
The IUPAC name of [3-[2-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]methanol (CID 70694476) is [3-[2-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]methanol.
What is the SMILES notation for [3-[2-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]methanol?
The canonical SMILES for [3-[2-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]methanol is Nc1ncc(-c2ccc(Cl)cc2)cc1-c1cccc(CO)c1.
What is the InChIKey of [3-[2-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]methanol?
The InChIKey is KFENVBWBHOEPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c19-16-6-4-13(5-7-16)15-9-17(18(20)21-10-15)14-3-1-2-12(8-14)11-22/h1-10,22H,11H2,(H2,20,21).
What are the key properties of [3-[2-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]methanol?
[3-[2-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]methanol has a molecular weight of 310.78 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]methanol is sourced from PubChem (CID 70694476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).