N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide

C11H8N4O4 — CID 107681442

IUPACN-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1c(O)cccc1[N+](=O)[O-])c1cncnc1
InChIInChI=1S/C11H8N4O4/c16-9-3-1-2-8(15(18)19)10(9)14-11(17)7-4-12-6-13-5-7/h1-6,16H,(H,14,17)
InChIKeyNRPGOWWFFRNXCM-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.34
Rot. Bonds3

About N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide

N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide (PubChem CID 107681442) has the molecular formula C11H8N4O4 and a molecular weight of 260.21 g/mol. Its IUPAC name is N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide
PubChem CID107681442
Molecular FormulaC11H8N4O4
Molecular Weight260.21 g/mol
Exact Mass260.05
IUPAC NameN-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1c(O)cccc1[N+](=O)[O-])c1cncnc1
InChIInChI=1S/C11H8N4O4/c16-9-3-1-2-8(15(18)19)10(9)14-11(17)7-4-12-6-13-5-7/h1-6,16H,(H,14,17)
InChIKeyNRPGOWWFFRNXCM-UHFFFAOYSA-N
XLogP1.34
TPSA118.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-(2-hydroxy-6-nitrophenyl)pyridine-3-carboxamide
CID 107679593
3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681117
4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107679552
5-fluoro-N-(2-hydroxy-6-nitrophenyl)pyridine-2-carboxamide
CID 107681305
3-fluoro-N-(2-hydroxy-6-nitrophenyl)-5-methylbenzamide
CID 107681232
N-(2-hydroxy-6-nitrophenyl)prop-2-enamide
CID 107679556
2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681178
N-(2,6-dinitrophenyl)-4-nitrobenzamide
CID 3089919
2-amino-N-(2-hydroxy-6-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 107680867
N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
CID 107681107
1-cyclopropyl-N-(2-hydroxy-6-nitrophenyl)pyrrole-2-carboxamide
CID 107681459
2-chloro-3-fluoro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681321

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide (CID 107681442) is N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide is O=C(Nc1c(O)cccc1[N+](=O)[O-])c1cncnc1.
What is the InChIKey of N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide?
The InChIKey is NRPGOWWFFRNXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O4/c16-9-3-1-2-8(15(18)19)10(9)14-11(17)7-4-12-6-13-5-7/h1-6,16H,(H,14,17).
What are the key properties of N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide?
N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide has a molecular weight of 260.21 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 107681442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).