4-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methoxyphenol

C18H14ClFN2O2 — CID 126672815

IUPAC4-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methoxyphenol
SMILESCOc1cc(-c2cc(-c3ccc(F)c(Cl)c3)cnc2N)ccc1O
InChIInChI=1S/C18H14ClFN2O2/c1-24-17-8-11(3-5-16(17)23)13-6-12(9-22-18(13)21)10-2-4-15(20)14(19)7-10/h2-9,23H,1H3,(H2,21,22)
InChIKeyHVZORRNFHPRKTQ-UHFFFAOYSA-N
MW344.77 g/mol
LogP4.50
Rot. Bonds3

About 4-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methoxyphenol

4-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methoxyphenol (PubChem CID 126672815) has the molecular formula C18H14ClFN2O2 and a molecular weight of 344.77 g/mol. Its IUPAC name is 4-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methoxyphenol
PubChem CID126672815
Molecular FormulaC18H14ClFN2O2
Molecular Weight344.77 g/mol
Exact Mass344.07
IUPAC Name4-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methoxyphenol
SMILESCOc1cc(-c2cc(-c3ccc(F)c(Cl)c3)cnc2N)ccc1O
InChIInChI=1S/C18H14ClFN2O2/c1-24-17-8-11(3-5-16(17)23)13-6-12(9-22-18(13)21)10-2-4-15(20)14(19)7-10/h2-9,23H,1H3,(H2,21,22)
InChIKeyHVZORRNFHPRKTQ-UHFFFAOYSA-N
XLogP4.50
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methoxyphenol?
The IUPAC name of 4-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methoxyphenol (CID 126672815) is 4-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methoxyphenol.
What is the SMILES notation for 4-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methoxyphenol?
The canonical SMILES for 4-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methoxyphenol is COc1cc(-c2cc(-c3ccc(F)c(Cl)c3)cnc2N)ccc1O.
What is the InChIKey of 4-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methoxyphenol?
The InChIKey is HVZORRNFHPRKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2/c1-24-17-8-11(3-5-16(17)23)13-6-12(9-22-18(13)21)10-2-4-15(20)14(19)7-10/h2-9,23H,1H3,(H2,21,22).
What are the key properties of 4-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methoxyphenol?
4-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methoxyphenol has a molecular weight of 344.77 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methoxyphenol is sourced from PubChem (CID 126672815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).