2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine

C13H11ClN2O3 — CID 113338052

IUPAC2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine
SMILESCc1cc([N+](=O)[O-])ccc1OCc1cccnc1Cl
InChIInChI=1S/C13H11ClN2O3/c1-9-7-11(16(17)18)4-5-12(9)19-8-10-3-2-6-15-13(10)14/h2-7H,8H2,1H3
InChIKeyZYUAVPLYJKUOFU-UHFFFAOYSA-N
MW278.69 g/mol
LogP3.53
Rot. Bonds4

About 2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine

2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine (PubChem CID 113338052) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is 2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine
PubChem CID113338052
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC Name2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine
SMILESCc1cc([N+](=O)[O-])ccc1OCc1cccnc1Cl
InChIInChI=1S/C13H11ClN2O3/c1-9-7-11(16(17)18)4-5-12(9)19-8-10-3-2-6-15-13(10)14/h2-7H,8H2,1H3
InChIKeyZYUAVPLYJKUOFU-UHFFFAOYSA-N
XLogP3.53
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 53.53
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

3-[(2-bromo-5-nitrophenoxy)methyl]-2-chloropyridine
CID 102975217
2-[(2-methyl-4-nitrophenoxy)methyl]pyrimidine
CID 162519965
2-chloro-3-[(2-chloro-4-nitrophenyl)methoxy]pyridine
CID 65102083
3-chloro-6-[(2-methyl-4-nitrophenoxy)methyl]pyridazine
CID 104514293
2-chloro-3-[(4-methoxy-3-nitrophenoxy)methyl]pyridine
CID 103201604
3-[(2-methyl-5-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 63075197
1-chloro-2-[(2-methylphenoxy)methyl]-4-nitrobenzene
CID 43169195
2-chloro-3-[(2,5-difluoro-4-nitrophenoxy)methyl]pyridine
CID 63597772
N-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-2-amine
CID 62466385
5-chloro-8-[(2-methoxy-4-nitrophenoxy)methyl]quinoline
CID 60619402
1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene
CID 60656948
2,6-dichloro-3-[(2-methoxy-4-nitrophenoxy)methyl]pyridine
CID 106994569

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine?
The IUPAC name of 2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine (CID 113338052) is 2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine.
What is the SMILES notation for 2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine?
The canonical SMILES for 2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine is Cc1cc([N+](=O)[O-])ccc1OCc1cccnc1Cl.
What is the InChIKey of 2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine?
The InChIKey is ZYUAVPLYJKUOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-9-7-11(16(17)18)4-5-12(9)19-8-10-3-2-6-15-13(10)14/h2-7H,8H2,1H3.
What are the key properties of 2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine?
2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine has a molecular weight of 278.69 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine is sourced from PubChem (CID 113338052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).