2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid

C7H3ClF2N2O4 — CID 119021689

IUPAC2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)nc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C7H3ClF2N2O4/c8-5-4(12(15)16)2(7(13)14)1-3(11-5)6(9)10/h1,6H,(H,13,14)
InChIKeyRJCZEVISZCRXKZ-UHFFFAOYSA-N
MW252.56 g/mol
LogP2.28
Rot. Bonds3

About 2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid

2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid (PubChem CID 119021689) has the molecular formula C7H3ClF2N2O4 and a molecular weight of 252.56 g/mol. Its IUPAC name is 2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid
PubChem CID119021689
Molecular FormulaC7H3ClF2N2O4
Molecular Weight252.56 g/mol
Exact Mass251.97
IUPAC Name2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)nc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C7H3ClF2N2O4/c8-5-4(12(15)16)2(7(13)14)1-3(11-5)6(9)10/h1,6H,(H,13,14)
InChIKeyRJCZEVISZCRXKZ-UHFFFAOYSA-N
XLogP2.28
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.56
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid
CID 119009190
2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carboxylic acid
CID 119021392
2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
CID 119024451
2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine
CID 119013891
2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 119002941
4-chloro-6-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 118800128
3,5-difluoro-2-nitrobenzoic acid
CID 2783365
6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid
CID 130086233
2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde
CID 118999855
4-cyano-6-(difluoromethyl)-3-nitropyridine-2-carbonyl chloride
CID 133107618
6-(difluoromethyl)-2-fluoro-3-hydroxypyridine-4-carboxylic acid
CID 130079649
6-chloro-4-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 130074851

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid (CID 119021689) is 2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid is O=C(O)c1cc(C(F)F)nc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid?
The InChIKey is RJCZEVISZCRXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2N2O4/c8-5-4(12(15)16)2(7(13)14)1-3(11-5)6(9)10/h1,6H,(H,13,14).
What are the key properties of 2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid?
2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid has a molecular weight of 252.56 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(difluoromethyl)-3-nitropyridine-4-carboxylic acid is sourced from PubChem (CID 119021689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).