2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine

C7H5ClF2N2O2 — CID 118994549

IUPAC2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine
SMILESCc1cc([N+](=O)[O-])c(C(F)F)c(Cl)n1
InChIInChI=1S/C7H5ClF2N2O2/c1-3-2-4(12(13)14)5(7(9)10)6(8)11-3/h2,7H,1H3
InChIKeyUMQVHWQZAIRRDU-UHFFFAOYSA-N
MW222.58 g/mol
LogP2.89
Rot. Bonds2

About 2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine

2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine (PubChem CID 118994549) has the molecular formula C7H5ClF2N2O2 and a molecular weight of 222.58 g/mol. Its IUPAC name is 2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine.

Molecular Properties

Compound Name2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine
PubChem CID118994549
Molecular FormulaC7H5ClF2N2O2
Molecular Weight222.58 g/mol
Exact Mass222.00
IUPAC Name2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine
SMILESCc1cc([N+](=O)[O-])c(C(F)F)c(Cl)n1
InChIInChI=1S/C7H5ClF2N2O2/c1-3-2-4(12(13)14)5(7(9)10)6(8)11-3/h2,7H,1H3
InChIKeyUMQVHWQZAIRRDU-UHFFFAOYSA-N
XLogP2.89
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.58
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

2,6-dichloro-3-(difluoromethyl)-4-nitropyridine
CID 119017807
6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131450851
ethyl 6-chloro-5-(difluoromethyl)-4-nitropyridine-2-carboxylate
CID 134670947
3-(chloromethyl)-2-(difluoromethyl)-6-methyl-4-nitropyridine
CID 130088228
2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile
CID 118998041
2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbaldehyde
CID 119005034
6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine
CID 130074723
[6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine
CID 118831501
2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine
CID 118851730
2-[2-chloro-3-(difluoromethyl)-6-methyl-4-pyridinyl]acetic acid
CID 119019019
5-(difluoromethyl)-6-methyl-4-nitro-1H-pyridin-2-one
CID 130083640
5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine
CID 130080884

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine?
The IUPAC name of 2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine (CID 118994549) is 2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine.
What is the SMILES notation for 2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine?
The canonical SMILES for 2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine is Cc1cc([N+](=O)[O-])c(C(F)F)c(Cl)n1.
What is the InChIKey of 2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine?
The InChIKey is UMQVHWQZAIRRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O2/c1-3-2-4(12(13)14)5(7(9)10)6(8)11-3/h2,7H,1H3.
What are the key properties of 2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine?
2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine has a molecular weight of 222.58 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine is sourced from PubChem (CID 118994549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).