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

C17H12ClFN2O — CID 155548602

IUPAC3-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenol
SMILESNc1ncc(-c2ccc(F)c(Cl)c2)cc1-c1cccc(O)c1
InChIInChI=1S/C17H12ClFN2O/c18-15-8-10(4-5-16(15)19)12-7-14(17(20)21-9-12)11-2-1-3-13(22)6-11/h1-9,22H,(H2,20,21)
InChIKeyYFTHLRCEDYMPSU-UHFFFAOYSA-N
MW314.75 g/mol
LogP4.50
Rot. Bonds2

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

3-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenol (PubChem CID 155548602) has the molecular formula C17H12ClFN2O and a molecular weight of 314.75 g/mol. Its IUPAC name is 3-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name3-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenol
PubChem CID155548602
Molecular FormulaC17H12ClFN2O
Molecular Weight314.75 g/mol
Exact Mass314.06
IUPAC Name3-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenol
SMILESNc1ncc(-c2ccc(F)c(Cl)c2)cc1-c1cccc(O)c1
InChIInChI=1S/C17H12ClFN2O/c18-15-8-10(4-5-16(15)19)12-7-14(17(20)21-9-12)11-2-1-3-13(22)6-11/h1-9,22H,(H2,20,21)
InChIKeyYFTHLRCEDYMPSU-UHFFFAOYSA-N
XLogP4.50
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 54.50
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-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenol?
The IUPAC name of 3-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenol (CID 155548602) is 3-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenol.
What is the SMILES notation for 3-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenol?
The canonical SMILES for 3-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenol is Nc1ncc(-c2ccc(F)c(Cl)c2)cc1-c1cccc(O)c1.
What is the InChIKey of 3-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenol?
The InChIKey is YFTHLRCEDYMPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O/c18-15-8-10(4-5-16(15)19)12-7-14(17(20)21-9-12)11-2-1-3-13(22)6-11/h1-9,22H,(H2,20,21).
What are the key properties of 3-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenol?
3-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenol has a molecular weight of 314.75 g/mol, XLogP of 4.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-5-(3-chloro-4-fluorophenyl)-3-pyridinyl]phenol is sourced from PubChem (CID 155548602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).