4-[(6-amino-3-pyridinyl)methyl]-2-(3-chlorophenyl)-3-fluorophenol

C18H14ClFN2O — CID 143810137

IUPAC4-[(6-amino-3-pyridinyl)methyl]-2-(3-chlorophenyl)-3-fluorophenol
SMILESNc1ccc(Cc2ccc(O)c(-c3cccc(Cl)c3)c2F)cn1
InChIInChI=1S/C18H14ClFN2O/c19-14-3-1-2-12(9-14)17-15(23)6-5-13(18(17)20)8-11-4-7-16(21)22-10-11/h1-7,9-10,23H,8H2,(H2,21,22)
InChIKeyNCUQECDNAHREHB-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.42
Rot. Bonds3

About 4-[(6-amino-3-pyridinyl)methyl]-2-(3-chlorophenyl)-3-fluorophenol

4-[(6-amino-3-pyridinyl)methyl]-2-(3-chlorophenyl)-3-fluorophenol (PubChem CID 143810137) has the molecular formula C18H14ClFN2O and a molecular weight of 328.77 g/mol. Its IUPAC name is 4-[(6-amino-3-pyridinyl)methyl]-2-(3-chlorophenyl)-3-fluorophenol.

Molecular Properties

Compound Name4-[(6-amino-3-pyridinyl)methyl]-2-(3-chlorophenyl)-3-fluorophenol
PubChem CID143810137
Molecular FormulaC18H14ClFN2O
Molecular Weight328.77 g/mol
Exact Mass328.08
IUPAC Name4-[(6-amino-3-pyridinyl)methyl]-2-(3-chlorophenyl)-3-fluorophenol
SMILESNc1ccc(Cc2ccc(O)c(-c3cccc(Cl)c3)c2F)cn1
InChIInChI=1S/C18H14ClFN2O/c19-14-3-1-2-12(9-14)17-15(23)6-5-13(18(17)20)8-11-4-7-16(21)22-10-11/h1-7,9-10,23H,8H2,(H2,21,22)
InChIKeyNCUQECDNAHREHB-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-3-pyridinyl)methyl]-2-(3-chlorophenyl)-3-fluorophenol?
The IUPAC name of 4-[(6-amino-3-pyridinyl)methyl]-2-(3-chlorophenyl)-3-fluorophenol (CID 143810137) is 4-[(6-amino-3-pyridinyl)methyl]-2-(3-chlorophenyl)-3-fluorophenol.
What is the SMILES notation for 4-[(6-amino-3-pyridinyl)methyl]-2-(3-chlorophenyl)-3-fluorophenol?
The canonical SMILES for 4-[(6-amino-3-pyridinyl)methyl]-2-(3-chlorophenyl)-3-fluorophenol is Nc1ccc(Cc2ccc(O)c(-c3cccc(Cl)c3)c2F)cn1.
What is the InChIKey of 4-[(6-amino-3-pyridinyl)methyl]-2-(3-chlorophenyl)-3-fluorophenol?
The InChIKey is NCUQECDNAHREHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O/c19-14-3-1-2-12(9-14)17-15(23)6-5-13(18(17)20)8-11-4-7-16(21)22-10-11/h1-7,9-10,23H,8H2,(H2,21,22).
What are the key properties of 4-[(6-amino-3-pyridinyl)methyl]-2-(3-chlorophenyl)-3-fluorophenol?
4-[(6-amino-3-pyridinyl)methyl]-2-(3-chlorophenyl)-3-fluorophenol has a molecular weight of 328.77 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-3-pyridinyl)methyl]-2-(3-chlorophenyl)-3-fluorophenol is sourced from PubChem (CID 143810137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).