2-(3,5-dichloro-2-nitroanilino)pyridine-3-carboxylic acid

C12H7Cl2N3O4 — CID 158494808

IUPAC2-(3,5-dichloro-2-nitroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1cc(Cl)cc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H7Cl2N3O4/c13-6-4-8(14)10(17(20)21)9(5-6)16-11-7(12(18)19)2-1-3-15-11/h1-5H,(H,15,16)(H,18,19)
InChIKeyHJDLCXMFKFIWGN-UHFFFAOYSA-N
MW328.11 g/mol
LogP3.74
Rot. Bonds4

About 2-(3,5-dichloro-2-nitroanilino)pyridine-3-carboxylic acid

2-(3,5-dichloro-2-nitroanilino)pyridine-3-carboxylic acid (PubChem CID 158494808) has the molecular formula C12H7Cl2N3O4 and a molecular weight of 328.11 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-nitroanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dichloro-2-nitroanilino)pyridine-3-carboxylic acid
PubChem CID158494808
Molecular FormulaC12H7Cl2N3O4
Molecular Weight328.11 g/mol
Exact Mass326.98
IUPAC Name2-(3,5-dichloro-2-nitroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1cc(Cl)cc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C12H7Cl2N3O4/c13-6-4-8(14)10(17(20)21)9(5-6)16-11-7(12(18)19)2-1-3-15-11/h1-5H,(H,15,16)(H,18,19)
InChIKeyHJDLCXMFKFIWGN-UHFFFAOYSA-N
XLogP3.74
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 67783774
2-[3-nitro-2-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 154389587
3-(5-chloro-2-fluoroanilino)-2-nitrobenzoic acid
CID 115542164
(2-chlorophenyl)-[2-[(3-nitro-2-pyridinyl)amino]phenyl]methanone
CID 13388386
2-(2,4-dibromoanilino)pyridine-3-carboxylic acid
CID 63537003
2-(2,6-dichloro-4-pyridin-4-ylanilino)pyridine-3-carboxylic acid
CID 153457704
2-[3-chloro-5-deuterio-2-(trideuteriomethyl)anilino]pyridine-3-carboxylic acid
CID 172990311
3-(2-chloroanilino)-2-nitrobenzoic acid
CID 115542075
2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide
CID 165177944
3-chloroaniline;2-(3-chloroanilino)pyridine-3-carboxylic acid
CID 158959245
3-[(3-chloro-2-pyridinyl)sulfanyl]-2-nitrobenzoic acid
CID 115542669
2-(5-bromo-2-cyanoanilino)pyridine-3-carboxylic acid
CID 107799260

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-nitroanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3,5-dichloro-2-nitroanilino)pyridine-3-carboxylic acid (CID 158494808) is 2-(3,5-dichloro-2-nitroanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3,5-dichloro-2-nitroanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3,5-dichloro-2-nitroanilino)pyridine-3-carboxylic acid is O=C(O)c1cccnc1Nc1cc(Cl)cc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dichloro-2-nitroanilino)pyridine-3-carboxylic acid?
The InChIKey is HJDLCXMFKFIWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O4/c13-6-4-8(14)10(17(20)21)9(5-6)16-11-7(12(18)19)2-1-3-15-11/h1-5H,(H,15,16)(H,18,19).
What are the key properties of 2-(3,5-dichloro-2-nitroanilino)pyridine-3-carboxylic acid?
2-(3,5-dichloro-2-nitroanilino)pyridine-3-carboxylic acid has a molecular weight of 328.11 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-nitroanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 158494808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).