3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine

C13H10Cl2N2O3 — CID 62886670

IUPAC3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine
SMILESCc1ccc([N+](=O)[O-])cc1OCc1nc(Cl)ccc1Cl
InChIInChI=1S/C13H10Cl2N2O3/c1-8-2-3-9(17(18)19)6-12(8)20-7-11-10(14)4-5-13(15)16-11/h2-6H,7H2,1H3
InChIKeyYBHFDMJOEMVRJM-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.18
Rot. Bonds4

About 3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine

3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine (PubChem CID 62886670) has the molecular formula C13H10Cl2N2O3 and a molecular weight of 313.14 g/mol. Its IUPAC name is 3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine.

Molecular Properties

Compound Name3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine
PubChem CID62886670
Molecular FormulaC13H10Cl2N2O3
Molecular Weight313.14 g/mol
Exact Mass312.01
IUPAC Name3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine
SMILESCc1ccc([N+](=O)[O-])cc1OCc1nc(Cl)ccc1Cl
InChIInChI=1S/C13H10Cl2N2O3/c1-8-2-3-9(17(18)19)6-12(8)20-7-11-10(14)4-5-13(15)16-11/h2-6H,7H2,1H3
InChIKeyYBHFDMJOEMVRJM-UHFFFAOYSA-N
XLogP4.18
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 54.18
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

3,6-dichloro-2-[(4-nitrophenoxy)methyl]pyridine
CID 62887008
3-[(3,6-dichloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
CID 104693556
3-chloro-4-[(2-methyl-5-nitrophenoxy)methyl]thiophene
CID 174572989
1-chloro-2-[(2-methylphenoxy)methyl]-4-nitrobenzene
CID 43169195
2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine
CID 83269016
2,6-dichloro-3-[(2-methoxy-5-nitrophenoxy)methyl]pyridine
CID 106994414
2,6-dichloro-3-[(2-methoxy-4-nitrophenoxy)methyl]pyridine
CID 106994569
3-chloro-6-(2-methyl-5-nitrophenoxy)pyridazine
CID 54915676
3-chloro-6-[(2-methyl-4-nitrophenoxy)methyl]pyridazine
CID 104514293
1-chloro-2-ethoxy-4-nitrobenzene
CID 69438761
2-[(2-chloro-5-nitrophenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 79484247
2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine
CID 79251179

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine?
The IUPAC name of 3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine (CID 62886670) is 3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine.
What is the SMILES notation for 3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine?
The canonical SMILES for 3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine is Cc1ccc([N+](=O)[O-])cc1OCc1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine?
The InChIKey is YBHFDMJOEMVRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3/c1-8-2-3-9(17(18)19)6-12(8)20-7-11-10(14)4-5-13(15)16-11/h2-6H,7H2,1H3.
What are the key properties of 3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine?
3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine has a molecular weight of 313.14 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-[(2-methyl-5-nitrophenoxy)methyl]pyridine is sourced from PubChem (CID 62886670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).