5-amino-3-(difluoromethyl)-2-nitropyridine-4-carboxylic acid

C7H5F2N3O4 — CID 134683272

IUPAC5-amino-3-(difluoromethyl)-2-nitropyridine-4-carboxylic acid
SMILESNc1cnc([N+](=O)[O-])c(C(F)F)c1C(=O)O
InChIInChI=1S/C7H5F2N3O4/c8-5(9)4-3(7(13)14)2(10)1-11-6(4)12(15)16/h1,5H,10H2,(H,13,14)
InChIKeyFTLUQWPKSQJLFQ-UHFFFAOYSA-N
MW233.13 g/mol
LogP1.21
Rot. Bonds3

About 5-amino-3-(difluoromethyl)-2-nitropyridine-4-carboxylic acid

5-amino-3-(difluoromethyl)-2-nitropyridine-4-carboxylic acid (PubChem CID 134683272) has the molecular formula C7H5F2N3O4 and a molecular weight of 233.13 g/mol. Its IUPAC name is 5-amino-3-(difluoromethyl)-2-nitropyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-(difluoromethyl)-2-nitropyridine-4-carboxylic acid
PubChem CID134683272
Molecular FormulaC7H5F2N3O4
Molecular Weight233.13 g/mol
Exact Mass233.02
IUPAC Name5-amino-3-(difluoromethyl)-2-nitropyridine-4-carboxylic acid
SMILESNc1cnc([N+](=O)[O-])c(C(F)F)c1C(=O)O
InChIInChI=1S/C7H5F2N3O4/c8-5(9)4-3(7(13)14)2(10)1-11-6(4)12(15)16/h1,5H,10H2,(H,13,14)
InChIKeyFTLUQWPKSQJLFQ-UHFFFAOYSA-N
XLogP1.21
TPSA119.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 51.21
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

5-bromo-4-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 130069945
4-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 118844275
5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol
CID 130104620
2-chloro-3-(difluoromethyl)-5-nitropyridine-4-carboxylic acid
CID 119025116
2-[5-(difluoromethyl)-4-iodo-6-nitro-3-pyridinyl]acetic acid
CID 133101070
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134682696
5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine
CID 130101837
2-bromo-4-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 118992528
3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine
CID 130079937
5-amino-2-(difluoromethyl)-3-methylpyridine-4-carboxylic acid
CID 130106575
methyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate
CID 134673946
4-(difluoromethyl)-5-nitropyridin-3-amine
CID 130094685

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(difluoromethyl)-2-nitropyridine-4-carboxylic acid?
The IUPAC name of 5-amino-3-(difluoromethyl)-2-nitropyridine-4-carboxylic acid (CID 134683272) is 5-amino-3-(difluoromethyl)-2-nitropyridine-4-carboxylic acid.
What is the SMILES notation for 5-amino-3-(difluoromethyl)-2-nitropyridine-4-carboxylic acid?
The canonical SMILES for 5-amino-3-(difluoromethyl)-2-nitropyridine-4-carboxylic acid is Nc1cnc([N+](=O)[O-])c(C(F)F)c1C(=O)O.
What is the InChIKey of 5-amino-3-(difluoromethyl)-2-nitropyridine-4-carboxylic acid?
The InChIKey is FTLUQWPKSQJLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3O4/c8-5(9)4-3(7(13)14)2(10)1-11-6(4)12(15)16/h1,5H,10H2,(H,13,14).
What are the key properties of 5-amino-3-(difluoromethyl)-2-nitropyridine-4-carboxylic acid?
5-amino-3-(difluoromethyl)-2-nitropyridine-4-carboxylic acid has a molecular weight of 233.13 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(difluoromethyl)-2-nitropyridine-4-carboxylic acid is sourced from PubChem (CID 134683272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).