2-(3-nitro-1H-indol-5-yl)pyridine-4-carboxylic acid

C14H9N3O4 — CID 67107336

IUPAC2-(3-nitro-1H-indol-5-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccc3[nH]cc([N+](=O)[O-])c3c2)c1
InChIInChI=1S/C14H9N3O4/c18-14(19)9-3-4-15-12(6-9)8-1-2-11-10(5-8)13(7-16-11)17(20)21/h1-7,16H,(H,18,19)
InChIKeyHXJAYKSDUXSJRM-UHFFFAOYSA-N
MW283.24 g/mol
LogP2.84
Rot. Bonds3

About 2-(3-nitro-1H-indol-5-yl)pyridine-4-carboxylic acid

2-(3-nitro-1H-indol-5-yl)pyridine-4-carboxylic acid (PubChem CID 67107336) has the molecular formula C14H9N3O4 and a molecular weight of 283.24 g/mol. Its IUPAC name is 2-(3-nitro-1H-indol-5-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-nitro-1H-indol-5-yl)pyridine-4-carboxylic acid
PubChem CID67107336
Molecular FormulaC14H9N3O4
Molecular Weight283.24 g/mol
Exact Mass283.06
IUPAC Name2-(3-nitro-1H-indol-5-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccc3[nH]cc([N+](=O)[O-])c3c2)c1
InChIInChI=1S/C14H9N3O4/c18-14(19)9-3-4-15-12(6-9)8-1-2-11-10(5-8)13(7-16-11)17(20)21/h1-7,16H,(H,18,19)
InChIKeyHXJAYKSDUXSJRM-UHFFFAOYSA-N
XLogP2.84
TPSA109.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(2,4-dinitrophenyl)pyridine-4-carboxylic acid
CID 175535252
2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid
CID 140555411
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid;hydrochloride
CID 140555410
bis[2-(3-nitrophenyl)-4-pyridinyl]methanone
CID 141011336
3-(3-formyl-1H-indol-5-yl)benzoic acid
CID 4186391
(3-nitro-1H-indol-5-yl)methyl carbamate
CID 175473187
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
2-(furan-3-yl)pyridine-4-carboxylic acid
CID 91623804
2-(3-fluoro-4-methoxyphenyl)pyridine-4-carboxylic acid
CID 53223378
2-(4-ethoxyphenyl)pyridine-4-carboxylic acid
CID 50999400
2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 60726441

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitro-1H-indol-5-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(3-nitro-1H-indol-5-yl)pyridine-4-carboxylic acid (CID 67107336) is 2-(3-nitro-1H-indol-5-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-nitro-1H-indol-5-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-nitro-1H-indol-5-yl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2ccc3[nH]cc([N+](=O)[O-])c3c2)c1.
What is the InChIKey of 2-(3-nitro-1H-indol-5-yl)pyridine-4-carboxylic acid?
The InChIKey is HXJAYKSDUXSJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O4/c18-14(19)9-3-4-15-12(6-9)8-1-2-11-10(5-8)13(7-16-11)17(20)21/h1-7,16H,(H,18,19).
What are the key properties of 2-(3-nitro-1H-indol-5-yl)pyridine-4-carboxylic acid?
2-(3-nitro-1H-indol-5-yl)pyridine-4-carboxylic acid has a molecular weight of 283.24 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitro-1H-indol-5-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 67107336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).