3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride

C7H4ClF2N3O3 — CID 134663914

IUPAC3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride
SMILESNc1c(C(F)F)ncc([N+](=O)[O-])c1C(=O)Cl
InChIInChI=1S/C7H4ClF2N3O3/c8-6(14)3-2(13(15)16)1-12-5(4(3)11)7(9)10/h1,7H,11H2
InChIKeyZCPNMAZJUMKBTN-UHFFFAOYSA-N
MW251.58 g/mol
LogP1.89
Rot. Bonds3

About 3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride

3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride (PubChem CID 134663914) has the molecular formula C7H4ClF2N3O3 and a molecular weight of 251.58 g/mol. Its IUPAC name is 3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride.

Molecular Properties

Compound Name3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride
PubChem CID134663914
Molecular FormulaC7H4ClF2N3O3
Molecular Weight251.58 g/mol
Exact Mass250.99
IUPAC Name3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride
SMILESNc1c(C(F)F)ncc([N+](=O)[O-])c1C(=O)Cl
InChIInChI=1S/C7H4ClF2N3O3/c8-6(14)3-2(13(15)16)1-12-5(4(3)11)7(9)10/h1,7H,11H2
InChIKeyZCPNMAZJUMKBTN-UHFFFAOYSA-N
XLogP1.89
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.58
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol
CID 130106938
2-(difluoromethyl)-4-nitropyridine-3-carbonyl chloride
CID 118815293
2-(difluoromethyl)-3-iodo-5-nitropyridine-4-carboxamide
CID 118820528
methyl 4-amino-2-(difluoromethyl)-5-nitropyridine-3-carboxylate
CID 134664428
2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine
CID 134668880
2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-4-carboxamide
CID 118854512
3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine
CID 130106839
methyl 2-(difluoromethyl)-3-fluoro-5-nitropyridine-4-carboxylate
CID 133105039
methyl 4-chloro-2-(difluoromethyl)-5-nitropyridine-3-carboxylate
CID 134674210
5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride
CID 134672843
2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride
CID 118848721
2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine
CID 118850927

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride?
The IUPAC name of 3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride (CID 134663914) is 3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride.
What is the SMILES notation for 3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride?
The canonical SMILES for 3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride is Nc1c(C(F)F)ncc([N+](=O)[O-])c1C(=O)Cl.
What is the InChIKey of 3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride?
The InChIKey is ZCPNMAZJUMKBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2N3O3/c8-6(14)3-2(13(15)16)1-12-5(4(3)11)7(9)10/h1,7H,11H2.
What are the key properties of 3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride?
3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride has a molecular weight of 251.58 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride is sourced from PubChem (CID 134663914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).