3-(chloromethyl)-2-(difluoromethyl)-6-nitropyridine

C7H5ClF2N2O2 — CID 130097914

IUPAC3-(chloromethyl)-2-(difluoromethyl)-6-nitropyridine
SMILESO=[N+]([O-])c1ccc(CCl)c(C(F)F)n1
InChIInChI=1S/C7H5ClF2N2O2/c8-3-4-1-2-5(12(13)14)11-6(4)7(9)10/h1-2,7H,3H2
InChIKeyKYUGMXRUXDJVRH-UHFFFAOYSA-N
MW222.58 g/mol
LogP2.67
Rot. Bonds3

About 3-(chloromethyl)-2-(difluoromethyl)-6-nitropyridine

3-(chloromethyl)-2-(difluoromethyl)-6-nitropyridine (PubChem CID 130097914) has the molecular formula C7H5ClF2N2O2 and a molecular weight of 222.58 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(difluoromethyl)-6-nitropyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(difluoromethyl)-6-nitropyridine
PubChem CID130097914
Molecular FormulaC7H5ClF2N2O2
Molecular Weight222.58 g/mol
Exact Mass222.00
IUPAC Name3-(chloromethyl)-2-(difluoromethyl)-6-nitropyridine
SMILESO=[N+]([O-])c1ccc(CCl)c(C(F)F)n1
InChIInChI=1S/C7H5ClF2N2O2/c8-3-4-1-2-5(12(13)14)11-6(4)7(9)10/h1-2,7H,3H2
InChIKeyKYUGMXRUXDJVRH-UHFFFAOYSA-N
XLogP2.67
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.58
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_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

[2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 118820582
3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-nitropyridine
CID 130086601
5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130081475
4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130102612
2-(chloromethyl)-6-nitro-3-(trifluoromethyl)pyridine
CID 131500569
[2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine
CID 130081370
2-(difluoromethyl)-3,4-diiodo-6-nitropyridine
CID 118842792
2-[4-chloro-2-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile
CID 118817087
2-(chloromethyl)-3-(difluoromethyl)-4-fluoro-6-nitropyridine
CID 118804420
2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine
CID 119013891
5-(chloromethyl)-3-(difluoromethyl)-2-iodo-6-nitropyridine
CID 130086612
2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine
CID 130103953

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(difluoromethyl)-6-nitropyridine?
The IUPAC name of 3-(chloromethyl)-2-(difluoromethyl)-6-nitropyridine (CID 130097914) is 3-(chloromethyl)-2-(difluoromethyl)-6-nitropyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(difluoromethyl)-6-nitropyridine?
The canonical SMILES for 3-(chloromethyl)-2-(difluoromethyl)-6-nitropyridine is O=[N+]([O-])c1ccc(CCl)c(C(F)F)n1.
What is the InChIKey of 3-(chloromethyl)-2-(difluoromethyl)-6-nitropyridine?
The InChIKey is KYUGMXRUXDJVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O2/c8-3-4-1-2-5(12(13)14)11-6(4)7(9)10/h1-2,7H,3H2.
What are the key properties of 3-(chloromethyl)-2-(difluoromethyl)-6-nitropyridine?
3-(chloromethyl)-2-(difluoromethyl)-6-nitropyridine has a molecular weight of 222.58 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(difluoromethyl)-6-nitropyridine is sourced from PubChem (CID 130097914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).