2-(2-chloroanilino)-N-hydroxypyrimidine-5-carboxamide

C11H9ClN4O2 — CID 57380060

IUPAC2-(2-chloroanilino)-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(Nc2ccccc2Cl)nc1
InChIInChI=1S/C11H9ClN4O2/c12-8-3-1-2-4-9(8)15-11-13-5-7(6-14-11)10(17)16-18/h1-6,18H,(H,16,17)(H,13,14,15)
InChIKeyXKHOTVFPJMKBLC-UHFFFAOYSA-N
MW264.67 g/mol
LogP1.99
Rot. Bonds3

About 2-(2-chloroanilino)-N-hydroxypyrimidine-5-carboxamide

2-(2-chloroanilino)-N-hydroxypyrimidine-5-carboxamide (PubChem CID 57380060) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-hydroxypyrimidine-5-carboxamide
PubChem CID57380060
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name2-(2-chloroanilino)-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(Nc2ccccc2Cl)nc1
InChIInChI=1S/C11H9ClN4O2/c12-8-3-1-2-4-9(8)15-11-13-5-7(6-14-11)10(17)16-18/h1-6,18H,(H,16,17)(H,13,14,15)
InChIKeyXKHOTVFPJMKBLC-UHFFFAOYSA-N
XLogP1.99
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-(2-chloroanilino)-N-hydroxypyrimidine-5-carboxamide (CID 57380060) is 2-(2-chloroanilino)-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-chloroanilino)-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(Nc2ccccc2Cl)nc1.
What is the InChIKey of 2-(2-chloroanilino)-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is XKHOTVFPJMKBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c12-8-3-1-2-4-9(8)15-11-13-5-7(6-14-11)10(17)16-18/h1-6,18H,(H,16,17)(H,13,14,15).
What are the key properties of 2-(2-chloroanilino)-N-hydroxypyrimidine-5-carboxamide?
2-(2-chloroanilino)-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 264.67 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 57380060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).