2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride

C7H2ClF2IN2O3 — CID 118826585

IUPAC2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(I)cc([N+](=O)[O-])nc1C(F)F
InChIInChI=1S/C7H2ClF2IN2O3/c8-6(14)4-2(11)1-3(13(15)16)12-5(4)7(9)10/h1,7H
InChIKeyUJLJCOGGXCONDY-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.91
Rot. Bonds3

About 2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride

2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride (PubChem CID 118826585) has the molecular formula C7H2ClF2IN2O3 and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride
PubChem CID118826585
Molecular FormulaC7H2ClF2IN2O3
Molecular Weight362.46 g/mol
Exact Mass361.88
IUPAC Name2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(I)cc([N+](=O)[O-])nc1C(F)F
InChIInChI=1S/C7H2ClF2IN2O3/c8-6(14)4-2(11)1-3(13(15)16)12-5(4)7(9)10/h1,7H
InChIKeyUJLJCOGGXCONDY-UHFFFAOYSA-N
XLogP2.91
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine
CID 130110794
2-(difluoromethyl)-3,4-diiodo-6-nitropyridine
CID 118842792
2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid
CID 118820433
methyl 2-[2-(difluoromethyl)-4-iodo-6-nitro-3-pyridinyl]acetate
CID 133101527
4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride
CID 118829446
2-(difluoromethyl)-4-nitro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 118809632
2-(difluoromethyl)-3-hydroxy-6-nitropyridine-4-carboxylic acid
CID 118831588
2-[4-bromo-2-(difluoromethyl)-6-nitro-3-pyridinyl]acetic acid
CID 118806238
3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine
CID 119018326
4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130101830
4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130102612
2-(difluoromethyl)-4-nitropyridine-3-carbonyl chloride
CID 118815293

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride?
The IUPAC name of 2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride (CID 118826585) is 2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride is O=C(Cl)c1c(I)cc([N+](=O)[O-])nc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride?
The InChIKey is UJLJCOGGXCONDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF2IN2O3/c8-6(14)4-2(11)1-3(13(15)16)12-5(4)7(9)10/h1,7H.
What are the key properties of 2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride?
2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride has a molecular weight of 362.46 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride is sourced from PubChem (CID 118826585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).