2-chloro-5-(1-methoxyethyl)pyridine;3-chloro-5-(1-methoxyethyl)pyridine;4-chloro-3-(1-methoxyethyl)pyridine;2-chloro-3-(methoxymethyl)pyridine;3-chloro-5-(methoxymethyl)pyridine;4-chloro-5-(methoxymethyl)pyrimidine;3-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)-2-(trifluoromethyl)pyridine;1-methoxy-3-nitropropane

C72H86Cl6F3N13O12 — CID 167707100

IUPAC2-chloro-5-(1-methoxyethyl)pyridine;3-chloro-5-(1-methoxyethyl)pyridine;4-chloro-3-(1-methoxyethyl)pyridine;2-chloro-3-(methoxymethyl)pyridine;3-chloro-5-(methoxymethyl)pyridine;4-chloro-5-(methoxymethyl)pyrimidine;3-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)-2-(trifluoromethyl)pyridine;1-methoxy-3-nitropropane
SMILESCOC(C)c1ccc(Cl)nc1.COC(C)c1cncc(Cl)c1.COC(C)c1cnccc1Cl.COCCC[N+](=O)[O-].COCc1ccc(C#N)nc1.COCc1ccc(C(F)(F)F)nc1.COCc1cccnc1C#N.COCc1cccnc1Cl.COCc1cncc(Cl)c1.COCc1cncnc1Cl
InChIInChI=1S/3C8H10ClNO.C8H8F3NO.2C8H8N2O.2C7H8ClNO.C6H7ClN2O.C4H9NO3/c1-6(11-2)7-3-8(9)5-10-4-7;1-6(11-2)7-5-10-4-3-8(7)9;1-6(11-2)7-3-4-8(9)10-5-7;1-13-5-6-2-3-7(12-4-6)8(9,10)11;1-11-6-7-2-3-8(4-9)10-5-7;1-11-6-7-3-2-4-10-8(7)5-9;1-10-5-6-2-7(8)4-9-3-6;1-10-5-6-3-2-4-9-7(6)8;1-10-3-5-2-8-4-9-6(5)7;1-8-4-2-3-5(6)7/h3*3-6H,1-2H3;2-4H,5H2,1H3;2-3,5H,6H2,1H3;2-4H,6H2,1H3;2*2-4H,5H2,1H3;2,4H,3H2,1H3;2-4H2,1H3
InChIKeyNMBNILRNVNFYMB-UHFFFAOYSA-N
MW1595.27 g/mol
LogP17.11
Rot. Bonds22

About 2-chloro-5-(1-methoxyethyl)pyridine;3-chloro-5-(1-methoxyethyl)pyridine;4-chloro-3-(1-methoxyethyl)pyridine;2-chloro-3-(methoxymethyl)pyridine;3-chloro-5-(methoxymethyl)pyridine;4-chloro-5-(methoxymethyl)pyrimidine;3-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)-2-(trifluoromethyl)pyridine;1-methoxy-3-nitropropane

2-chloro-5-(1-methoxyethyl)pyridine;3-chloro-5-(1-methoxyethyl)pyridine;4-chloro-3-(1-methoxyethyl)pyridine;2-chloro-3-(methoxymethyl)pyridine;3-chloro-5-(methoxymethyl)pyridine;4-chloro-5-(methoxymethyl)pyrimidine;3-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)-2-(trifluoromethyl)pyridine;1-methoxy-3-nitropropane (PubChem CID 167707100) has the molecular formula C72H86Cl6F3N13O12 and a molecular weight of 1595.27 g/mol. Its IUPAC name is 2-chloro-5-(1-methoxyethyl)pyridine;3-chloro-5-(1-methoxyethyl)pyridine;4-chloro-3-(1-methoxyethyl)pyridine;2-chloro-3-(methoxymethyl)pyridine;3-chloro-5-(methoxymethyl)pyridine;4-chloro-5-(methoxymethyl)pyrimidine;3-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)-2-(trifluoromethyl)pyridine;1-methoxy-3-nitropropane.

Molecular Properties

Compound Name2-chloro-5-(1-methoxyethyl)pyridine;3-chloro-5-(1-methoxyethyl)pyridine;4-chloro-3-(1-methoxyethyl)pyridine;2-chloro-3-(methoxymethyl)pyridine;3-chloro-5-(methoxymethyl)pyridine;4-chloro-5-(methoxymethyl)pyrimidine;3-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)-2-(trifluoromethyl)pyridine;1-methoxy-3-nitropropane
PubChem CID167707100
Molecular FormulaC72H86Cl6F3N13O12
Molecular Weight1595.27 g/mol
Exact Mass1591.46
IUPAC Name2-chloro-5-(1-methoxyethyl)pyridine;3-chloro-5-(1-methoxyethyl)pyridine;4-chloro-3-(1-methoxyethyl)pyridine;2-chloro-3-(methoxymethyl)pyridine;3-chloro-5-(methoxymethyl)pyridine;4-chloro-5-(methoxymethyl)pyrimidine;3-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)-2-(trifluoromethyl)pyridine;1-methoxy-3-nitropropane
SMILESCOC(C)c1ccc(Cl)nc1.COC(C)c1cncc(Cl)c1.COC(C)c1cnccc1Cl.COCCC[N+](=O)[O-].COCc1ccc(C#N)nc1.COCc1ccc(C(F)(F)F)nc1.COCc1cccnc1C#N.COCc1cccnc1Cl.COCc1cncc(Cl)c1.COCc1cncnc1Cl
InChIInChI=1S/3C8H10ClNO.C8H8F3NO.2C8H8N2O.2C7H8ClNO.C6H7ClN2O.C4H9NO3/c1-6(11-2)7-3-8(9)5-10-4-7;1-6(11-2)7-5-10-4-3-8(7)9;1-6(11-2)7-3-4-8(9)10-5-7;1-13-5-6-2-3-7(12-4-6)8(9,10)11;1-11-6-7-2-3-8(4-9)10-5-7;1-11-6-7-3-2-4-10-8(7)5-9;1-10-5-6-2-7(8)4-9-3-6;1-10-5-6-3-2-4-9-7(6)8;1-10-3-5-2-8-4-9-6(5)7;1-8-4-2-3-5(6)7/h3*3-6H,1-2H3;2-4H,5H2,1H3;2-3,5H,6H2,1H3;2-4H,6H2,1H3;2*2-4H,5H2,1H3;2,4H,3H2,1H3;2-4H2,1H3
InChIKeyNMBNILRNVNFYMB-UHFFFAOYSA-N
XLogP17.11
TPSA311.92 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001595.27
LogP ≤ 517.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-methoxyethyl)pyridine;3-chloro-5-(1-methoxyethyl)pyridine;4-chloro-3-(1-methoxyethyl)pyridine;2-chloro-3-(methoxymethyl)pyridine;3-chloro-5-(methoxymethyl)pyridine;4-chloro-5-(methoxymethyl)pyrimidine;3-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)-2-(trifluoromethyl)pyridine;1-methoxy-3-nitropropane?
The IUPAC name of 2-chloro-5-(1-methoxyethyl)pyridine;3-chloro-5-(1-methoxyethyl)pyridine;4-chloro-3-(1-methoxyethyl)pyridine;2-chloro-3-(methoxymethyl)pyridine;3-chloro-5-(methoxymethyl)pyridine;4-chloro-5-(methoxymethyl)pyrimidine;3-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)-2-(trifluoromethyl)pyridine;1-methoxy-3-nitropropane (CID 167707100) is 2-chloro-5-(1-methoxyethyl)pyridine;3-chloro-5-(1-methoxyethyl)pyridine;4-chloro-3-(1-methoxyethyl)pyridine;2-chloro-3-(methoxymethyl)pyridine;3-chloro-5-(methoxymethyl)pyridine;4-chloro-5-(methoxymethyl)pyrimidine;3-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)-2-(trifluoromethyl)pyridine;1-methoxy-3-nitropropane.
What is the SMILES notation for 2-chloro-5-(1-methoxyethyl)pyridine;3-chloro-5-(1-methoxyethyl)pyridine;4-chloro-3-(1-methoxyethyl)pyridine;2-chloro-3-(methoxymethyl)pyridine;3-chloro-5-(methoxymethyl)pyridine;4-chloro-5-(methoxymethyl)pyrimidine;3-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)-2-(trifluoromethyl)pyridine;1-methoxy-3-nitropropane?
The canonical SMILES for 2-chloro-5-(1-methoxyethyl)pyridine;3-chloro-5-(1-methoxyethyl)pyridine;4-chloro-3-(1-methoxyethyl)pyridine;2-chloro-3-(methoxymethyl)pyridine;3-chloro-5-(methoxymethyl)pyridine;4-chloro-5-(methoxymethyl)pyrimidine;3-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)-2-(trifluoromethyl)pyridine;1-methoxy-3-nitropropane is COC(C)c1ccc(Cl)nc1.COC(C)c1cncc(Cl)c1.COC(C)c1cnccc1Cl.COCCC[N+](=O)[O-].COCc1ccc(C#N)nc1.COCc1ccc(C(F)(F)F)nc1.COCc1cccnc1C#N.COCc1cccnc1Cl.COCc1cncc(Cl)c1.COCc1cncnc1Cl.
What is the InChIKey of 2-chloro-5-(1-methoxyethyl)pyridine;3-chloro-5-(1-methoxyethyl)pyridine;4-chloro-3-(1-methoxyethyl)pyridine;2-chloro-3-(methoxymethyl)pyridine;3-chloro-5-(methoxymethyl)pyridine;4-chloro-5-(methoxymethyl)pyrimidine;3-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)-2-(trifluoromethyl)pyridine;1-methoxy-3-nitropropane?
The InChIKey is NMBNILRNVNFYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H10ClNO.C8H8F3NO.2C8H8N2O.2C7H8ClNO.C6H7ClN2O.C4H9NO3/c1-6(11-2)7-3-8(9)5-10-4-7;1-6(11-2)7-5-10-4-3-8(7)9;1-6(11-2)7-3-4-8(9)10-5-7;1-13-5-6-2-3-7(12-4-6)8(9,10)11;1-11-6-7-2-3-8(4-9)10-5-7;1-11-6-7-3-2-4-10-8(7)5-9;1-10-5-6-2-7(8)4-9-3-6;1-10-5-6-3-2-4-9-7(6)8;1-10-3-5-2-8-4-9-6(5)7;1-8-4-2-3-5(6)7/h3*3-6H,1-2H3;2-4H,5H2,1H3;2-3,5H,6H2,1H3;2-4H,6H2,1H3;2*2-4H,5H2,1H3;2,4H,3H2,1H3;2-4H2,1H3.
What are the key properties of 2-chloro-5-(1-methoxyethyl)pyridine;3-chloro-5-(1-methoxyethyl)pyridine;4-chloro-3-(1-methoxyethyl)pyridine;2-chloro-3-(methoxymethyl)pyridine;3-chloro-5-(methoxymethyl)pyridine;4-chloro-5-(methoxymethyl)pyrimidine;3-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)-2-(trifluoromethyl)pyridine;1-methoxy-3-nitropropane?
2-chloro-5-(1-methoxyethyl)pyridine;3-chloro-5-(1-methoxyethyl)pyridine;4-chloro-3-(1-methoxyethyl)pyridine;2-chloro-3-(methoxymethyl)pyridine;3-chloro-5-(methoxymethyl)pyridine;4-chloro-5-(methoxymethyl)pyrimidine;3-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)-2-(trifluoromethyl)pyridine;1-methoxy-3-nitropropane has a molecular weight of 1595.27 g/mol, XLogP of 17.11, 22 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-methoxyethyl)pyridine;3-chloro-5-(1-methoxyethyl)pyridine;4-chloro-3-(1-methoxyethyl)pyridine;2-chloro-3-(methoxymethyl)pyridine;3-chloro-5-(methoxymethyl)pyridine;4-chloro-5-(methoxymethyl)pyrimidine;3-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)pyridine-2-carbonitrile;5-(methoxymethyl)-2-(trifluoromethyl)pyridine;1-methoxy-3-nitropropane is sourced from PubChem (CID 167707100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).