6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid

C7H3F2IN2O4 — CID 118848577

IUPAC6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(I)c(C(F)F)nc1[N+](=O)[O-]
InChIInChI=1S/C7H3F2IN2O4/c8-5(9)4-3(10)1-2(7(13)14)6(11-4)12(15)16/h1,5H,(H,13,14)
InChIKeyMDSCWGCSMPOYEI-UHFFFAOYSA-N
MW344.01 g/mol
LogP2.23
Rot. Bonds3

About 6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid

6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid (PubChem CID 118848577) has the molecular formula C7H3F2IN2O4 and a molecular weight of 344.01 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid
PubChem CID118848577
Molecular FormulaC7H3F2IN2O4
Molecular Weight344.01 g/mol
Exact Mass343.91
IUPAC Name6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(I)c(C(F)F)nc1[N+](=O)[O-]
InChIInChI=1S/C7H3F2IN2O4/c8-5(9)4-3(10)1-2(7(13)14)6(11-4)12(15)16/h1,5H,(H,13,14)
InChIKeyMDSCWGCSMPOYEI-UHFFFAOYSA-N
XLogP2.23
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.01
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(difluoromethyl)-2-fluoro-5-iodopyridine-3-carboxylic acid
CID 118831957
2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid
CID 118826321
6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 119018210
2-(difluoromethyl)-5-methoxy-6-nitropyridine-3-carboxylic acid
CID 118826363
2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 130087218
[2-(difluoromethyl)-5-iodo-6-nitro-3-pyridinyl]methanol
CID 118814976
6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 119006565
2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride
CID 118843487
2-(difluoromethyl)-3-hydroxy-6-nitropyridine-4-carboxylic acid
CID 118831588
2-[5-(difluoromethyl)-3-iodo-6-nitro-2-pyridinyl]acetic acid
CID 133100937
2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid
CID 118843110
2-[4-(difluoromethyl)-6-iodo-2-nitro-3-pyridinyl]acetic acid
CID 118835338

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid (CID 118848577) is 6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid is O=C(O)c1cc(I)c(C(F)F)nc1[N+](=O)[O-].
What is the InChIKey of 6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid?
The InChIKey is MDSCWGCSMPOYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2IN2O4/c8-5(9)4-3(10)1-2(7(13)14)6(11-4)12(15)16/h1,5H,(H,13,14).
What are the key properties of 6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid?
6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid has a molecular weight of 344.01 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-iodo-2-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 118848577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).