4-(5-amino-3-pyridinyl)-6-fluorobenzene-1,3-diol

C11H9FN2O2 — CID 178156309

IUPAC4-(5-amino-3-pyridinyl)-6-fluorobenzene-1,3-diol
SMILESNc1cncc(-c2cc(F)c(O)cc2O)c1
InChIInChI=1S/C11H9FN2O2/c12-9-2-8(10(15)3-11(9)16)6-1-7(13)5-14-4-6/h1-5,15-16H,13H2
InChIKeyAPPPNPUIZJDHPV-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.88
Rot. Bonds1

About 4-(5-amino-3-pyridinyl)-6-fluorobenzene-1,3-diol

4-(5-amino-3-pyridinyl)-6-fluorobenzene-1,3-diol (PubChem CID 178156309) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 4-(5-amino-3-pyridinyl)-6-fluorobenzene-1,3-diol.

Molecular Properties

Compound Name4-(5-amino-3-pyridinyl)-6-fluorobenzene-1,3-diol
PubChem CID178156309
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name4-(5-amino-3-pyridinyl)-6-fluorobenzene-1,3-diol
SMILESNc1cncc(-c2cc(F)c(O)cc2O)c1
InChIInChI=1S/C11H9FN2O2/c12-9-2-8(10(15)3-11(9)16)6-1-7(13)5-14-4-6/h1-5,15-16H,13H2
InChIKeyAPPPNPUIZJDHPV-UHFFFAOYSA-N
XLogP1.88
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3,4-trifluorophenyl)pyridin-3-ol
CID 79020426
6-(5-amino-3-pyridinyl)pyridin-2-amine
CID 174139966
4-(5-amino-3-pyridinyl)-5-chloropyridin-2-amine
CID 123343700
5-aminopyridin-3-ol;methane
CID 142968120
5-aminopyridin-3-ol;hydrobromide
CID 156594738
5-(5-chloro-3-pyridinyl)pyridin-3-amine
CID 141394727
4-chloro-2-(5-fluoro-3-pyridinyl)aniline
CID 81275393
2-fluoro-6-(5-fluoro-3-pyridinyl)aniline
CID 107602800
5-(4-tert-butylphenyl)pyridin-3-amine
CID 25184245
4-(5-amino-3-pyridinyl)-3-methylbenzonitrile
CID 68614352
5-[6-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine
CID 72859012
5-amino-4-bromo-2-fluorophenol
CID 74892030

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-3-pyridinyl)-6-fluorobenzene-1,3-diol?
The IUPAC name of 4-(5-amino-3-pyridinyl)-6-fluorobenzene-1,3-diol (CID 178156309) is 4-(5-amino-3-pyridinyl)-6-fluorobenzene-1,3-diol.
What is the SMILES notation for 4-(5-amino-3-pyridinyl)-6-fluorobenzene-1,3-diol?
The canonical SMILES for 4-(5-amino-3-pyridinyl)-6-fluorobenzene-1,3-diol is Nc1cncc(-c2cc(F)c(O)cc2O)c1.
What is the InChIKey of 4-(5-amino-3-pyridinyl)-6-fluorobenzene-1,3-diol?
The InChIKey is APPPNPUIZJDHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-9-2-8(10(15)3-11(9)16)6-1-7(13)5-14-4-6/h1-5,15-16H,13H2.
What are the key properties of 4-(5-amino-3-pyridinyl)-6-fluorobenzene-1,3-diol?
4-(5-amino-3-pyridinyl)-6-fluorobenzene-1,3-diol has a molecular weight of 220.20 g/mol, XLogP of 1.88, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-3-pyridinyl)-6-fluorobenzene-1,3-diol is sourced from PubChem (CID 178156309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).