[4-[5-(3-chloro-4-fluoroanilino)-3-pyridinyl]phenyl]methanol

C18H14ClFN2O — CID 11580716

IUPAC[4-[5-(3-chloro-4-fluoroanilino)-3-pyridinyl]phenyl]methanol
SMILESOCc1ccc(-c2cncc(Nc3ccc(F)c(Cl)c3)c2)cc1
InChIInChI=1S/C18H14ClFN2O/c19-17-8-15(5-6-18(17)20)22-16-7-14(9-21-10-16)13-3-1-12(11-23)2-4-13/h1-10,22-23H,11H2
InChIKeyDJLNUZQQFHLJNL-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.78
Rot. Bonds4

About [4-[5-(3-chloro-4-fluoroanilino)-3-pyridinyl]phenyl]methanol

[4-[5-(3-chloro-4-fluoroanilino)-3-pyridinyl]phenyl]methanol (PubChem CID 11580716) has the molecular formula C18H14ClFN2O and a molecular weight of 328.77 g/mol. Its IUPAC name is [4-[5-(3-chloro-4-fluoroanilino)-3-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-(3-chloro-4-fluoroanilino)-3-pyridinyl]phenyl]methanol
PubChem CID11580716
Molecular FormulaC18H14ClFN2O
Molecular Weight328.77 g/mol
Exact Mass328.08
IUPAC Name[4-[5-(3-chloro-4-fluoroanilino)-3-pyridinyl]phenyl]methanol
SMILESOCc1ccc(-c2cncc(Nc3ccc(F)c(Cl)c3)c2)cc1
InChIInChI=1S/C18H14ClFN2O/c19-17-8-15(5-6-18(17)20)22-16-7-14(9-21-10-16)13-3-1-12(11-23)2-4-13/h1-10,22-23H,11H2
InChIKeyDJLNUZQQFHLJNL-UHFFFAOYSA-N
XLogP4.78
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(3-chloro-4-fluoroanilino)-3-pyridinyl]phenyl]methanol?
The IUPAC name of [4-[5-(3-chloro-4-fluoroanilino)-3-pyridinyl]phenyl]methanol (CID 11580716) is [4-[5-(3-chloro-4-fluoroanilino)-3-pyridinyl]phenyl]methanol.
What is the SMILES notation for [4-[5-(3-chloro-4-fluoroanilino)-3-pyridinyl]phenyl]methanol?
The canonical SMILES for [4-[5-(3-chloro-4-fluoroanilino)-3-pyridinyl]phenyl]methanol is OCc1ccc(-c2cncc(Nc3ccc(F)c(Cl)c3)c2)cc1.
What is the InChIKey of [4-[5-(3-chloro-4-fluoroanilino)-3-pyridinyl]phenyl]methanol?
The InChIKey is DJLNUZQQFHLJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O/c19-17-8-15(5-6-18(17)20)22-16-7-14(9-21-10-16)13-3-1-12(11-23)2-4-13/h1-10,22-23H,11H2.
What are the key properties of [4-[5-(3-chloro-4-fluoroanilino)-3-pyridinyl]phenyl]methanol?
[4-[5-(3-chloro-4-fluoroanilino)-3-pyridinyl]phenyl]methanol has a molecular weight of 328.77 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3-chloro-4-fluoroanilino)-3-pyridinyl]phenyl]methanol is sourced from PubChem (CID 11580716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).