3-chloro-N-(6-fluoro-3-pyridinyl)-4-hydroxybenzamide

C12H8ClFN2O2 — CID 103793435

IUPAC3-chloro-N-(6-fluoro-3-pyridinyl)-4-hydroxybenzamide
SMILESO=C(Nc1ccc(F)nc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H8ClFN2O2/c13-9-5-7(1-3-10(9)17)12(18)16-8-2-4-11(14)15-6-8/h1-6,17H,(H,16,18)
InChIKeyNOEFLZVTLNMHFO-UHFFFAOYSA-N
MW266.66 g/mol
LogP2.83
Rot. Bonds2

About 3-chloro-N-(6-fluoro-3-pyridinyl)-4-hydroxybenzamide

3-chloro-N-(6-fluoro-3-pyridinyl)-4-hydroxybenzamide (PubChem CID 103793435) has the molecular formula C12H8ClFN2O2 and a molecular weight of 266.66 g/mol. Its IUPAC name is 3-chloro-N-(6-fluoro-3-pyridinyl)-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(6-fluoro-3-pyridinyl)-4-hydroxybenzamide
PubChem CID103793435
Molecular FormulaC12H8ClFN2O2
Molecular Weight266.66 g/mol
Exact Mass266.03
IUPAC Name3-chloro-N-(6-fluoro-3-pyridinyl)-4-hydroxybenzamide
SMILESO=C(Nc1ccc(F)nc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H8ClFN2O2/c13-9-5-7(1-3-10(9)17)12(18)16-8-2-4-11(14)15-6-8/h1-6,17H,(H,16,18)
InChIKeyNOEFLZVTLNMHFO-UHFFFAOYSA-N
XLogP2.83
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide
CID 802066
N-(6-chloro-3-pyridinyl)-4-phenoxybenzamide
CID 852620
N-(6-chloro-3-pyridinyl)-3-fluoro-4-propan-2-yloxybenzamide
CID 70681964
N-(6-chloro-3-pyridinyl)-3-fluoro-4-phenoxybenzamide
CID 70686226
N-(6-chloro-3-pyridinyl)-4-ethoxy-3-fluorobenzamide
CID 70696624
3-chloro-N-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-4-methoxybenzamide
CID 91800614
US20230278981, Example 137
CID 163301044
US20230278981, Example 130
CID 163301067
US20230278981, Example 73
CID 163301166
N-(6-chloro-3-pyridinyl)-3-fluoro-4-methoxybenzamide
CID 70684086
5-chloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzamide
CID 10379068
(3,5-Dichloro-4-hydroxyphenyl)-pyrrolo[2,3-c]pyridin-1-ylmethanone
CID 166063512

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-fluoro-3-pyridinyl)-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-(6-fluoro-3-pyridinyl)-4-hydroxybenzamide (CID 103793435) is 3-chloro-N-(6-fluoro-3-pyridinyl)-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-(6-fluoro-3-pyridinyl)-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-(6-fluoro-3-pyridinyl)-4-hydroxybenzamide is O=C(Nc1ccc(F)nc1)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(6-fluoro-3-pyridinyl)-4-hydroxybenzamide?
The InChIKey is NOEFLZVTLNMHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O2/c13-9-5-7(1-3-10(9)17)12(18)16-8-2-4-11(14)15-6-8/h1-6,17H,(H,16,18).
What are the key properties of 3-chloro-N-(6-fluoro-3-pyridinyl)-4-hydroxybenzamide?
3-chloro-N-(6-fluoro-3-pyridinyl)-4-hydroxybenzamide has a molecular weight of 266.66 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-fluoro-3-pyridinyl)-4-hydroxybenzamide is sourced from PubChem (CID 103793435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).