2-chloro-5-(fluoromethyl)-3-nitropyridine

C6H4ClFN2O2 — CID 174286829

IUPAC2-chloro-5-(fluoromethyl)-3-nitropyridine
SMILESO=[N+]([O-])c1cc(CF)cnc1Cl
InChIInChI=1S/C6H4ClFN2O2/c7-6-5(10(11)12)1-4(2-8)3-9-6/h1,3H,2H2
InChIKeyJKFASYKSHQUWOF-UHFFFAOYSA-N
MW190.56 g/mol
LogP2.11
Rot. Bonds2

About 2-chloro-5-(fluoromethyl)-3-nitropyridine

2-chloro-5-(fluoromethyl)-3-nitropyridine (PubChem CID 174286829) has the molecular formula C6H4ClFN2O2 and a molecular weight of 190.56 g/mol. Its IUPAC name is 2-chloro-5-(fluoromethyl)-3-nitropyridine.

Molecular Properties

Compound Name2-chloro-5-(fluoromethyl)-3-nitropyridine
PubChem CID174286829
Molecular FormulaC6H4ClFN2O2
Molecular Weight190.56 g/mol
Exact Mass189.99
IUPAC Name2-chloro-5-(fluoromethyl)-3-nitropyridine
SMILESO=[N+]([O-])c1cc(CF)cnc1Cl
InChIInChI=1S/C6H4ClFN2O2/c7-6-5(10(11)12)1-4(2-8)3-9-6/h1,3H,2H2
InChIKeyJKFASYKSHQUWOF-UHFFFAOYSA-N
XLogP2.11
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.56
LogP ≤ 52.11
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-chloro-5-fluoro-3-nitropyridine
CID 10773626
2-chloro-5-methyl-3-nitropyridine
CID 139082293
2-chloro-3-nitro-5-(1,2,2-trifluoroethyl)pyridine
CID 87510432
2-chloro-3-nitro-5-(trifluoromethyl)pyridine;phosphoryl trichloride
CID 158145766
3-(6-chloro-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine
CID 169473911
5-(4-bromobut-1-ynyl)-2-chloro-3-nitropyridine
CID 170466432
2-chloro-5-(1,3-dioxolan-2-yl)-3-nitropyridine
CID 118585912
2-chloro-3-nitro-5-(2,3,5-trichlorophenyl)pyridine
CID 119024598
(1R)-1-(6-chloro-5-nitro-3-pyridinyl)-N-methylethanamine
CID 130699268
4-bromo-1-(6-chloro-5-nitro-3-pyridinyl)butane-1,2-diol
CID 171892378
5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine
CID 130648559
2-chloro-3-fluoro-4-methyl-5-nitropyridine
CID 151225607

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(fluoromethyl)-3-nitropyridine?
The IUPAC name of 2-chloro-5-(fluoromethyl)-3-nitropyridine (CID 174286829) is 2-chloro-5-(fluoromethyl)-3-nitropyridine.
What is the SMILES notation for 2-chloro-5-(fluoromethyl)-3-nitropyridine?
The canonical SMILES for 2-chloro-5-(fluoromethyl)-3-nitropyridine is O=[N+]([O-])c1cc(CF)cnc1Cl.
What is the InChIKey of 2-chloro-5-(fluoromethyl)-3-nitropyridine?
The InChIKey is JKFASYKSHQUWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN2O2/c7-6-5(10(11)12)1-4(2-8)3-9-6/h1,3H,2H2.
What are the key properties of 2-chloro-5-(fluoromethyl)-3-nitropyridine?
2-chloro-5-(fluoromethyl)-3-nitropyridine has a molecular weight of 190.56 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(fluoromethyl)-3-nitropyridine is sourced from PubChem (CID 174286829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).