N-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide

C12H9FN2O3 — CID 103923595

IUPACN-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide
SMILESO=C(Nc1ccc(F)nc1)c1c(O)cccc1O
InChIInChI=1S/C12H9FN2O3/c13-10-5-4-7(6-14-10)15-12(18)11-8(16)2-1-3-9(11)17/h1-6,16-17H,(H,15,18)
InChIKeyITXGDFJLNRYZBA-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.88
Rot. Bonds2

About N-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide

N-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide (PubChem CID 103923595) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide
PubChem CID103923595
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC NameN-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide
SMILESO=C(Nc1ccc(F)nc1)c1c(O)cccc1O
InChIInChI=1S/C12H9FN2O3/c13-10-5-4-7(6-14-10)15-12(18)11-8(16)2-1-3-9(11)17/h1-6,16-17H,(H,15,18)
InChIKeyITXGDFJLNRYZBA-UHFFFAOYSA-N
XLogP1.88
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide
CID 113262877
N-(6-amino-3-pyridinyl)-2-fluoro-6-hydroxybenzamide
CID 107015825
N-(6-fluoro-3-pyridinyl)-2-iodobenzamide
CID 103789921
2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 107358891
4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide
CID 114052645
N-(6-fluoro-3-pyridinyl)quinoxaline-5-carboxamide
CID 104578190
3-chloro-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide
CID 107143571
3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzamide
CID 103789803
N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 103789776
3-(difluoromethoxy)-N-(6-fluoro-3-pyridinyl)benzamide
CID 103789754
N-(6-fluoro-3-pyridinyl)quinoline-2-carboxamide
CID 103789892
5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 12987868

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide (CID 103923595) is N-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide is O=C(Nc1ccc(F)nc1)c1c(O)cccc1O.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide?
The InChIKey is ITXGDFJLNRYZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c13-10-5-4-7(6-14-10)15-12(18)11-8(16)2-1-3-9(11)17/h1-6,16-17H,(H,15,18).
What are the key properties of N-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide?
N-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide has a molecular weight of 248.21 g/mol, XLogP of 1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 103923595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).