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

C14H13ClN2O3 — CID 60727704

IUPAC2-chloro-5-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridine
SMILESCc1cc(C)c(OCc2ccc(Cl)nc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13ClN2O3/c1-9-5-10(2)14(12(6-9)17(18)19)20-8-11-3-4-13(15)16-7-11/h3-7H,8H2,1-2H3
InChIKeyIFTIQSWSWNXVMX-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.84
Rot. Bonds4

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

2-chloro-5-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridine (PubChem CID 60727704) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-chloro-5-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridine
PubChem CID60727704
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-chloro-5-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridine
SMILESCc1cc(C)c(OCc2ccc(Cl)nc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H13ClN2O3/c1-9-5-10(2)14(12(6-9)17(18)19)20-8-11-3-4-13(15)16-7-11/h3-7H,8H2,1-2H3
InChIKeyIFTIQSWSWNXVMX-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

4-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridin-2-amine
CID 62464439
[4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62465352
1-methyl-3,5-dinitro-2-[(4-nitrophenyl)methoxy]benzene
CID 165364462
2-[4-(chloromethyl)phenoxy]-1,5-dimethyl-3-nitrobenzene
CID 63566433
[2-[(2,4-dimethyl-6-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79262177
6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine
CID 176830724
[6-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79231223
2-(2,2-dimethoxyethoxy)-1,5-dimethyl-3-nitrobenzene
CID 66220832
1-amino-3-(2,4-dimethyl-6-nitrophenoxy)propan-2-ol
CID 59762030
2-[(4-chloro-3-nitrophenyl)methoxy]-1,3-dimethylbenzene
CID 43350369
1-(2,4-dimethyl-6-nitrophenoxy)-3,3-dimethylbutan-2-one
CID 55021233
[5-[(2,4-dimethyl-6-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614104

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridine?
The IUPAC name of 2-chloro-5-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridine (CID 60727704) is 2-chloro-5-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridine.
What is the SMILES notation for 2-chloro-5-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridine?
The canonical SMILES for 2-chloro-5-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridine is Cc1cc(C)c(OCc2ccc(Cl)nc2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-5-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridine?
The InChIKey is IFTIQSWSWNXVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-9-5-10(2)14(12(6-9)17(18)19)20-8-11-3-4-13(15)16-7-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-chloro-5-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridine?
2-chloro-5-[(2,4-dimethyl-6-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-5-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridine is sourced from PubChem (CID 60727704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).