3-chloro-5-fluoro-2-nitropyridine

C5H2ClFN2O2 — CID 130893942

IUPAC3-chloro-5-fluoro-2-nitropyridine
SMILESO=[N+]([O-])c1ncc(F)cc1Cl
InChIInChI=1S/C5H2ClFN2O2/c6-4-1-3(7)2-8-5(4)9(10)11/h1-2H
InChIKeyVGHKMAWDEZYWRV-UHFFFAOYSA-N
MW176.53 g/mol
LogP1.78
Rot. Bonds1

About 3-chloro-5-fluoro-2-nitropyridine

3-chloro-5-fluoro-2-nitropyridine (PubChem CID 130893942) has the molecular formula C5H2ClFN2O2 and a molecular weight of 176.53 g/mol. Its IUPAC name is 3-chloro-5-fluoro-2-nitropyridine.

Molecular Properties

Compound Name3-chloro-5-fluoro-2-nitropyridine
PubChem CID130893942
Molecular FormulaC5H2ClFN2O2
Molecular Weight176.53 g/mol
Exact Mass175.98
IUPAC Name3-chloro-5-fluoro-2-nitropyridine
SMILESO=[N+]([O-])c1ncc(F)cc1Cl
InChIInChI=1S/C5H2ClFN2O2/c6-4-1-3(7)2-8-5(4)9(10)11/h1-2H
InChIKeyVGHKMAWDEZYWRV-UHFFFAOYSA-N
XLogP1.78
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.53
LogP ≤ 51.78
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-chloro-5-fluoro-3-nitropyridine
CID 10773626
5-bromo-3-chloro-2-nitropyridine
CID 131027901
3-chloro-5-fluoro-2-(trifluoromethyl)pyridine
CID 122706973
2-(3-chloro-5-fluoro-2-pyridinyl)-2,2-difluoroacetic acid
CID 170918339
5-chloro-4-(chloromethyl)-3-(difluoromethyl)-2-nitropyridine
CID 130074733
3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine
CID 130071661
4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
CID 130102613
2-(3-chloro-5-fluoro-2-pyridinyl)acetaldehyde
CID 133054290
4,5,7-trichloro-6-fluoro-3-nitroquinoline
CID 107577340
5-bromo-4-chloro-3-(difluoromethyl)-2-nitropyridine
CID 130107987
5-bromo-3-chloro-4-(difluoromethyl)-2-nitropyridine
CID 130107993
5-chloro-2-nitro-N-(2,2,2-trifluoroethyl)pyridin-3-amine
CID 135353112

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-2-nitropyridine?
The IUPAC name of 3-chloro-5-fluoro-2-nitropyridine (CID 130893942) is 3-chloro-5-fluoro-2-nitropyridine.
What is the SMILES notation for 3-chloro-5-fluoro-2-nitropyridine?
The canonical SMILES for 3-chloro-5-fluoro-2-nitropyridine is O=[N+]([O-])c1ncc(F)cc1Cl.
What is the InChIKey of 3-chloro-5-fluoro-2-nitropyridine?
The InChIKey is VGHKMAWDEZYWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClFN2O2/c6-4-1-3(7)2-8-5(4)9(10)11/h1-2H.
What are the key properties of 3-chloro-5-fluoro-2-nitropyridine?
3-chloro-5-fluoro-2-nitropyridine has a molecular weight of 176.53 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-2-nitropyridine is sourced from PubChem (CID 130893942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).