2-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid

C12H7N5O4 — CID 107554576

IUPAC2-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2ncc3ccc([N+](=O)[O-])cc32)n1
InChIInChI=1S/C12H7N5O4/c18-11(19)9-3-4-13-12(15-9)16-10-5-8(17(20)21)2-1-7(10)6-14-16/h1-6H,(H,18,19)
InChIKeyZDUTYRBSLASUTQ-UHFFFAOYSA-N
MW285.22 g/mol
LogP1.42
Rot. Bonds3

About 2-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid

2-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid (PubChem CID 107554576) has the molecular formula C12H7N5O4 and a molecular weight of 285.22 g/mol. Its IUPAC name is 2-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid
PubChem CID107554576
Molecular FormulaC12H7N5O4
Molecular Weight285.22 g/mol
Exact Mass285.05
IUPAC Name2-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2ncc3ccc([N+](=O)[O-])cc32)n1
InChIInChI=1S/C12H7N5O4/c18-11(19)9-3-4-13-12(15-9)16-10-5-8(17(20)21)2-1-7(10)6-14-16/h1-6H,(H,18,19)
InChIKeyZDUTYRBSLASUTQ-UHFFFAOYSA-N
XLogP1.42
TPSA124.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(6-nitroindazol-1-yl)pyridine-2-carboxylic acid
CID 43142906
1-(3-bromo-2-pyridinyl)-6-nitroindazole
CID 61374684
5-[(6-nitroindazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397374
2-(5-ethylpyrazol-1-yl)pyrimidine-4-carboxylic acid
CID 84785997
methane;methyl 6-nitroindazole-1-carboxylate
CID 174489049
1-(4-fluoro-2-nitrophenyl)-6-nitroindazole
CID 9029813
1-(5-chloropentyl)-6-nitroindazole
CID 43348333
2-(4-nitrophenyl)sulfanylpyrimidine-4-carboxylic acid
CID 107555168
4-[(6-nitroindazol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664469
1-[(4-chloro-2-pyridinyl)methyl]-6-nitroindazole
CID 79246153
4-(6-nitroindazol-1-yl)pentanoic acid
CID 62215418
6-nitro-2-phenylphthalazin-1-one
CID 86148503

Frequently Asked Questions

What is the IUPAC name of 2-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid (CID 107554576) is 2-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid is O=C(O)c1ccnc(-n2ncc3ccc([N+](=O)[O-])cc32)n1.
What is the InChIKey of 2-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid?
The InChIKey is ZDUTYRBSLASUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5O4/c18-11(19)9-3-4-13-12(15-9)16-10-5-8(17(20)21)2-1-7(10)6-14-16/h1-6H,(H,18,19).
What are the key properties of 2-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid?
2-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid has a molecular weight of 285.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-nitroindazol-1-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).