2-chloro-6-(cyclopropylmethoxy)pyridine;2-chloro-4-[6-(cyclopropylmethoxy)-2-pyridinyl]-6-fluoroaniline

C24H24Cl2FN3O2 — CID 160890101

IUPAC2-chloro-6-(cyclopropylmethoxy)pyridine;2-chloro-4-[6-(cyclopropylmethoxy)-2-pyridinyl]-6-fluoroaniline
SMILESClc1cccc(OCC2CC2)n1.Nc1c(F)cc(-c2cccc(OCC3CC3)n2)cc1Cl
InChIInChI=1S/C15H14ClFN2O.C9H10ClNO/c16-11-6-10(7-12(17)15(11)18)13-2-1-3-14(19-13)20-8-9-4-5-9;10-8-2-1-3-9(11-8)12-6-7-4-5-7/h1-3,6-7,9H,4-5,8,18H2;1-3,7H,4-6H2
InChIKeySODPJBQNGPXJPJ-UHFFFAOYSA-N
MW476.38 g/mol
LogP6.44
Rot. Bonds7

About 2-chloro-6-(cyclopropylmethoxy)pyridine;2-chloro-4-[6-(cyclopropylmethoxy)-2-pyridinyl]-6-fluoroaniline

2-chloro-6-(cyclopropylmethoxy)pyridine;2-chloro-4-[6-(cyclopropylmethoxy)-2-pyridinyl]-6-fluoroaniline (PubChem CID 160890101) has the molecular formula C24H24Cl2FN3O2 and a molecular weight of 476.38 g/mol. Its IUPAC name is 2-chloro-6-(cyclopropylmethoxy)pyridine;2-chloro-4-[6-(cyclopropylmethoxy)-2-pyridinyl]-6-fluoroaniline.

Molecular Properties

Compound Name2-chloro-6-(cyclopropylmethoxy)pyridine;2-chloro-4-[6-(cyclopropylmethoxy)-2-pyridinyl]-6-fluoroaniline
PubChem CID160890101
Molecular FormulaC24H24Cl2FN3O2
Molecular Weight476.38 g/mol
Exact Mass475.12
IUPAC Name2-chloro-6-(cyclopropylmethoxy)pyridine;2-chloro-4-[6-(cyclopropylmethoxy)-2-pyridinyl]-6-fluoroaniline
SMILESClc1cccc(OCC2CC2)n1.Nc1c(F)cc(-c2cccc(OCC3CC3)n2)cc1Cl
InChIInChI=1S/C15H14ClFN2O.C9H10ClNO/c16-11-6-10(7-12(17)15(11)18)13-2-1-3-14(19-13)20-8-9-4-5-9;10-8-2-1-3-9(11-8)12-6-7-4-5-7/h1-3,6-7,9H,4-5,8,18H2;1-3,7H,4-6H2
InChIKeySODPJBQNGPXJPJ-UHFFFAOYSA-N
XLogP6.44
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.38
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(cyclopropylmethoxy)pyridine;2-chloro-4-[6-(cyclopropylmethoxy)-2-pyridinyl]-6-fluoroaniline?
The IUPAC name of 2-chloro-6-(cyclopropylmethoxy)pyridine;2-chloro-4-[6-(cyclopropylmethoxy)-2-pyridinyl]-6-fluoroaniline (CID 160890101) is 2-chloro-6-(cyclopropylmethoxy)pyridine;2-chloro-4-[6-(cyclopropylmethoxy)-2-pyridinyl]-6-fluoroaniline.
What is the SMILES notation for 2-chloro-6-(cyclopropylmethoxy)pyridine;2-chloro-4-[6-(cyclopropylmethoxy)-2-pyridinyl]-6-fluoroaniline?
The canonical SMILES for 2-chloro-6-(cyclopropylmethoxy)pyridine;2-chloro-4-[6-(cyclopropylmethoxy)-2-pyridinyl]-6-fluoroaniline is Clc1cccc(OCC2CC2)n1.Nc1c(F)cc(-c2cccc(OCC3CC3)n2)cc1Cl.
What is the InChIKey of 2-chloro-6-(cyclopropylmethoxy)pyridine;2-chloro-4-[6-(cyclopropylmethoxy)-2-pyridinyl]-6-fluoroaniline?
The InChIKey is SODPJBQNGPXJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O.C9H10ClNO/c16-11-6-10(7-12(17)15(11)18)13-2-1-3-14(19-13)20-8-9-4-5-9;10-8-2-1-3-9(11-8)12-6-7-4-5-7/h1-3,6-7,9H,4-5,8,18H2;1-3,7H,4-6H2.
What are the key properties of 2-chloro-6-(cyclopropylmethoxy)pyridine;2-chloro-4-[6-(cyclopropylmethoxy)-2-pyridinyl]-6-fluoroaniline?
2-chloro-6-(cyclopropylmethoxy)pyridine;2-chloro-4-[6-(cyclopropylmethoxy)-2-pyridinyl]-6-fluoroaniline has a molecular weight of 476.38 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(cyclopropylmethoxy)pyridine;2-chloro-4-[6-(cyclopropylmethoxy)-2-pyridinyl]-6-fluoroaniline is sourced from PubChem (CID 160890101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).