N-(3-fluoro-4-hydroxyphenyl)pyrimidine-5-carboxamide

C11H8FN3O2 — CID 102922040

IUPACN-(3-fluoro-4-hydroxyphenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(O)c(F)c1)c1cncnc1
InChIInChI=1S/C11H8FN3O2/c12-9-3-8(1-2-10(9)16)15-11(17)7-4-13-6-14-5-7/h1-6,16H,(H,15,17)
InChIKeyXODNKKJTCNDHIS-UHFFFAOYSA-N
MW233.20 g/mol
LogP1.57
Rot. Bonds2

About N-(3-fluoro-4-hydroxyphenyl)pyrimidine-5-carboxamide

N-(3-fluoro-4-hydroxyphenyl)pyrimidine-5-carboxamide (PubChem CID 102922040) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)pyrimidine-5-carboxamide
PubChem CID102922040
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(O)c(F)c1)c1cncnc1
InChIInChI=1S/C11H8FN3O2/c12-9-3-8(1-2-10(9)16)15-11(17)7-4-13-6-14-5-7/h1-6,16H,(H,15,17)
InChIKeyXODNKKJTCNDHIS-UHFFFAOYSA-N
XLogP1.57
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-hydroxyphenyl)pyridine-4-carboxamide
CID 64780099
3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 64782946
6-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64782062
4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 81233431
N-(3,4-difluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63864937
4-ethyl-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 64780111
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
N-(4-aminophenyl)pyrimidine-5-carboxamide
CID 102921228
N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]pyrimidine-5-carboxamide
CID 102922448
N-(3-fluoro-4-hydroxyphenyl)-3-methoxypyridine-4-carboxamide
CID 105063689
N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide
CID 64781635
4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 81295822

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)pyrimidine-5-carboxamide (CID 102922040) is N-(3-fluoro-4-hydroxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)pyrimidine-5-carboxamide is O=C(Nc1ccc(O)c(F)c1)c1cncnc1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is XODNKKJTCNDHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c12-9-3-8(1-2-10(9)16)15-11(17)7-4-13-6-14-5-7/h1-6,16H,(H,15,17).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)pyrimidine-5-carboxamide?
N-(3-fluoro-4-hydroxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 233.20 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 102922040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).