2-chloro-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyrimidine-4-carboxamide

C12H9ClFN3O2 — CID 114219588

IUPAC2-chloro-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(O)c(F)c2)nc(Cl)n1
InChIInChI=1S/C12H9ClFN3O2/c1-6-4-9(17-12(13)15-6)11(19)16-7-2-3-10(18)8(14)5-7/h2-5,18H,1H3,(H,16,19)
InChIKeyLLUMMHJIJOFEPO-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.54
Rot. Bonds2

About 2-chloro-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyrimidine-4-carboxamide

2-chloro-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 114219588) has the molecular formula C12H9ClFN3O2 and a molecular weight of 281.67 g/mol. Its IUPAC name is 2-chloro-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID114219588
Molecular FormulaC12H9ClFN3O2
Molecular Weight281.67 g/mol
Exact Mass281.04
IUPAC Name2-chloro-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(O)c(F)c2)nc(Cl)n1
InChIInChI=1S/C12H9ClFN3O2/c1-6-4-9(17-12(13)15-6)11(19)16-7-2-3-10(18)8(14)5-7/h2-5,18H,1H3,(H,16,19)
InChIKeyLLUMMHJIJOFEPO-UHFFFAOYSA-N
XLogP2.54
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.54
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-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110865349
6-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64782062
2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide
CID 106861638
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide
CID 107097222
N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110858651
methyl N-(3-fluoro-4-hydroxyphenyl)carbamate
CID 64780328
4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 81233431
N-(3-fluoro-4-hydroxyphenyl)pyridine-4-carboxamide
CID 64780099
2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide
CID 64780308
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319375
2-(1-aminoethyl)-N-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 66390343

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyrimidine-4-carboxamide (CID 114219588) is 2-chloro-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(O)c(F)c2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is LLUMMHJIJOFEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2/c1-6-4-9(17-12(13)15-6)11(19)16-7-2-3-10(18)8(14)5-7/h2-5,18H,1H3,(H,16,19).
What are the key properties of 2-chloro-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyrimidine-4-carboxamide?
2-chloro-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 281.67 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 114219588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).