2-chloro-6-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine

C14H13ClN2O3 — CID 79243325

IUPAC2-chloro-6-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine
SMILESCc1cc([N+](=O)[O-])c(C)cc1OCc1cccc(Cl)n1
InChIInChI=1S/C14H13ClN2O3/c1-9-7-13(10(2)6-12(9)17(18)19)20-8-11-4-3-5-14(15)16-11/h3-7H,8H2,1-2H3
InChIKeyOACBVFBTYYTSRY-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.84
Rot. Bonds4

About 2-chloro-6-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine

2-chloro-6-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine (PubChem CID 79243325) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-chloro-6-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine
PubChem CID79243325
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-chloro-6-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine
SMILESCc1cc([N+](=O)[O-])c(C)cc1OCc1cccc(Cl)n1
InChIInChI=1S/C14H13ClN2O3/c1-9-7-13(10(2)6-12(9)17(18)19)20-8-11-4-3-5-14(15)16-11/h3-7H,8H2,1-2H3
InChIKeyOACBVFBTYYTSRY-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
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

2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine
CID 79243153
2-chloro-6-[(2,6-dichloro-4-nitrophenoxy)methyl]pyridine
CID 79242700
3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
CID 103760415
2-chloro-6-[[4-(4-nitrophenoxy)phenoxy]methyl]pyridine
CID 154663357
3-chloro-6-[(2-methyl-4-nitrophenoxy)methyl]pyridazine
CID 104514293
6-[(4-chloro-2-nitrophenoxy)methyl]-N-ethylpyridin-2-amine
CID 79231263
[3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 63184291
1-(2,5-dimethyl-4-nitrophenoxy)naphthalene
CID 66594066
2-bromo-5-[(2,5-dimethyl-4-nitrophenoxy)methyl]thiophene
CID 55192236
4-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine-2-carbonitrile
CID 63884634
2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine
CID 63180759
6-(2,5-dimethyl-4-nitrophenoxy)hexan-1-ol
CID 103867890

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine?
The IUPAC name of 2-chloro-6-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine (CID 79243325) is 2-chloro-6-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine.
What is the SMILES notation for 2-chloro-6-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine?
The canonical SMILES for 2-chloro-6-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine is Cc1cc([N+](=O)[O-])c(C)cc1OCc1cccc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine?
The InChIKey is OACBVFBTYYTSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-9-7-13(10(2)6-12(9)17(18)19)20-8-11-4-3-5-14(15)16-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-chloro-6-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine?
2-chloro-6-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine has a molecular weight of 292.72 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine is sourced from PubChem (CID 79243325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).