4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine

C7H2ClF5N2O2 — CID 134661128

IUPAC4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1cnc(C(F)F)c(C(F)(F)F)c1Cl
InChIInChI=1S/C7H2ClF5N2O2/c8-4-2(15(16)17)1-14-5(6(9)10)3(4)7(11,12)13/h1,6H
InChIKeyMNIXXQYTQWKCAT-UHFFFAOYSA-N
MW276.55 g/mol
LogP3.60
Rot. Bonds2

About 4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine

4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine (PubChem CID 134661128) has the molecular formula C7H2ClF5N2O2 and a molecular weight of 276.55 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine
PubChem CID134661128
Molecular FormulaC7H2ClF5N2O2
Molecular Weight276.55 g/mol
Exact Mass275.97
IUPAC Name4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1cnc(C(F)F)c(C(F)(F)F)c1Cl
InChIInChI=1S/C7H2ClF5N2O2/c8-4-2(15(16)17)1-14-5(6(9)10)3(4)7(11,12)13/h1,6H
InChIKeyMNIXXQYTQWKCAT-UHFFFAOYSA-N
XLogP3.60
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.55
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine
CID 134668880
2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-4-carboxamide
CID 118854512
2-[2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118809433
methyl 4-chloro-2-(difluoromethyl)-5-nitropyridine-3-carboxylate
CID 134674210
4-(chloromethyl)-2-(difluoromethyl)-3-iodo-5-nitropyridine
CID 130086614
methyl 2-[3-chloro-2-(difluoromethyl)-5-nitro-4-pyridinyl]acetate
CID 134674401
2-[4-(difluoromethyl)-5-nitro-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118835156
3-(difluoromethyl)-2-methoxy-5-nitro-4-(trifluoromethyl)pyridine
CID 133099445
4-bromo-2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridine
CID 118816421
2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine
CID 118850927
[3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol
CID 130106938
5-chloro-6-(difluoromethyl)-4-nitropyridin-3-ol
CID 130072355

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine?
The IUPAC name of 4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine (CID 134661128) is 4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine is O=[N+]([O-])c1cnc(C(F)F)c(C(F)(F)F)c1Cl.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine?
The InChIKey is MNIXXQYTQWKCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF5N2O2/c8-4-2(15(16)17)1-14-5(6(9)10)3(4)7(11,12)13/h1,6H.
What are the key properties of 4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine?
4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine has a molecular weight of 276.55 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 134661128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).