6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine

C14H13ClN2O3 — CID 61037209

IUPAC6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine
SMILESCC(C)c1cccc(Oc2nc(Cl)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H13ClN2O3/c1-9(2)10-4-3-5-11(8-10)20-14-12(17(18)19)6-7-13(15)16-14/h3-9H,1-2H3
InChIKeyPQSJTTJQEZCSPA-UHFFFAOYSA-N
MW292.72 g/mol
LogP4.56
Rot. Bonds4

About 6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine

6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine (PubChem CID 61037209) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine.

Molecular Properties

Compound Name6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine
PubChem CID61037209
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine
SMILESCC(C)c1cccc(Oc2nc(Cl)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H13ClN2O3/c1-9(2)10-4-3-5-11(8-10)20-14-12(17(18)19)6-7-13(15)16-14/h3-9H,1-2H3
InChIKeyPQSJTTJQEZCSPA-UHFFFAOYSA-N
XLogP4.56
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5-nitro-6-(3-propan-2-ylphenoxy)pyridin-2-amine
CID 80864810
6-chloro-2-(3-fluorophenoxy)-3-nitropyridine
CID 54915179
3-[(6-chloro-3-nitro-2-pyridinyl)oxy]-N,N-dimethylaniline
CID 61229474
6-chloro-2-(3-ethylphenoxy)-3-nitropyridine
CID 43330215
6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine
CID 61057396
6-chloro-2-(3,5-dimethoxyphenoxy)-3-nitropyridine
CID 61038338
6-(3-chlorophenoxy)-5-nitropyridin-2-amine
CID 80869741
8-nitro-5-(3-propan-2-ylphenoxy)isoquinoline
CID 18226312
2,4-dinitro-1-(3-propan-2-ylphenoxy)benzene
CID 9108889
6-chloro-2-(2-iodophenoxy)-3-nitropyridine
CID 54915226
6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine
CID 176830724
8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline
CID 61057607

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine?
The IUPAC name of 6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine (CID 61037209) is 6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine.
What is the SMILES notation for 6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine?
The canonical SMILES for 6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine is CC(C)c1cccc(Oc2nc(Cl)ccc2[N+](=O)[O-])c1.
What is the InChIKey of 6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine?
The InChIKey is PQSJTTJQEZCSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-9(2)10-4-3-5-11(8-10)20-14-12(17(18)19)6-7-13(15)16-14/h3-9H,1-2H3.
What are the key properties of 6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine?
6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine has a molecular weight of 292.72 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitro-2-(3-propan-2-ylphenoxy)pyridine is sourced from PubChem (CID 61037209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).