[4-[6-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenyl]methanol

C18H14ClFN2O — CID 155558277

IUPAC[4-[6-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenyl]methanol
SMILESNc1ncc(-c2ccc(CO)cc2)cc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H14ClFN2O/c19-16-8-13(5-6-17(16)20)15-7-14(9-22-18(15)21)12-3-1-11(10-23)2-4-12/h1-9,23H,10H2,(H2,21,22)
InChIKeyAPKXNFZURRZQLV-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.28
Rot. Bonds3

About [4-[6-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenyl]methanol

[4-[6-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenyl]methanol (PubChem CID 155558277) has the molecular formula C18H14ClFN2O and a molecular weight of 328.77 g/mol. Its IUPAC name is [4-[6-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenyl]methanol
PubChem CID155558277
Molecular FormulaC18H14ClFN2O
Molecular Weight328.77 g/mol
Exact Mass328.08
IUPAC Name[4-[6-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenyl]methanol
SMILESNc1ncc(-c2ccc(CO)cc2)cc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H14ClFN2O/c19-16-8-13(5-6-17(16)20)15-7-14(9-22-18(15)21)12-3-1-11(10-23)2-4-12/h1-9,23H,10H2,(H2,21,22)
InChIKeyAPKXNFZURRZQLV-UHFFFAOYSA-N
XLogP4.28
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenyl]methanol?
The IUPAC name of [4-[6-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenyl]methanol (CID 155558277) is [4-[6-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenyl]methanol.
What is the SMILES notation for [4-[6-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenyl]methanol?
The canonical SMILES for [4-[6-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenyl]methanol is Nc1ncc(-c2ccc(CO)cc2)cc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of [4-[6-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenyl]methanol?
The InChIKey is APKXNFZURRZQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O/c19-16-8-13(5-6-17(16)20)15-7-14(9-22-18(15)21)12-3-1-11(10-23)2-4-12/h1-9,23H,10H2,(H2,21,22).
What are the key properties of [4-[6-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenyl]methanol?
[4-[6-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenyl]methanol has a molecular weight of 328.77 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenyl]methanol is sourced from PubChem (CID 155558277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).