3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine

C6H2BrF2IN2O2 — CID 130110794

IUPAC3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine
SMILESO=[N+]([O-])c1cc(I)c(Br)c(C(F)F)n1
InChIInChI=1S/C6H2BrF2IN2O2/c7-4-2(10)1-3(12(13)14)11-5(4)6(8)9/h1,6H
InChIKeyPGOSAIFCMPPQSW-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.29
Rot. Bonds2

About 3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine

3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine (PubChem CID 130110794) has the molecular formula C6H2BrF2IN2O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine.

Molecular Properties

Compound Name3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine
PubChem CID130110794
Molecular FormulaC6H2BrF2IN2O2
Molecular Weight378.90 g/mol
Exact Mass377.83
IUPAC Name3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine
SMILESO=[N+]([O-])c1cc(I)c(Br)c(C(F)F)n1
InChIInChI=1S/C6H2BrF2IN2O2/c7-4-2(10)1-3(12(13)14)11-5(4)6(8)9/h1,6H
InChIKeyPGOSAIFCMPPQSW-UHFFFAOYSA-N
XLogP3.29
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-(difluoromethyl)-3,4-diiodo-6-nitropyridine
CID 118842792
2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride
CID 118826585
4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130101830
methyl 2-[2-(difluoromethyl)-4-iodo-6-nitro-3-pyridinyl]acetate
CID 133101527
3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine
CID 119018326
2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine
CID 130103953
2-[4-bromo-2-(difluoromethyl)-6-nitro-3-pyridinyl]acetic acid
CID 118806238
4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130102612
3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130068320
[2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine
CID 130081370
2-(difluoromethyl)-3-hydroxy-6-nitropyridine-4-carboxylic acid
CID 118831588
3-bromo-4-(difluoromethyl)-2-methoxy-6-nitropyridine
CID 130068676

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine?
The IUPAC name of 3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine (CID 130110794) is 3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine.
What is the SMILES notation for 3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine?
The canonical SMILES for 3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine is O=[N+]([O-])c1cc(I)c(Br)c(C(F)F)n1.
What is the InChIKey of 3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine?
The InChIKey is PGOSAIFCMPPQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF2IN2O2/c7-4-2(10)1-3(12(13)14)11-5(4)6(8)9/h1,6H.
What are the key properties of 3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine?
3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine has a molecular weight of 378.90 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine is sourced from PubChem (CID 130110794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).