2,3-dichloro-6-[(4,6-dimethoxy-2-pyridinyl)-fluoromethyl]aniline

C14H13Cl2FN2O2 — CID 67349446

IUPAC2,3-dichloro-6-[(4,6-dimethoxy-2-pyridinyl)-fluoromethyl]aniline
SMILESCOc1cc(OC)nc(C(F)c2ccc(Cl)c(Cl)c2N)c1
InChIInChI=1S/C14H13Cl2FN2O2/c1-20-7-5-10(19-11(6-7)21-2)13(17)8-3-4-9(15)12(16)14(8)18/h3-6,13H,18H2,1-2H3
InChIKeyVEGDXFVKDCXOMA-UHFFFAOYSA-N
MW331.17 g/mol
LogP4.05
Rot. Bonds4

About 2,3-dichloro-6-[(4,6-dimethoxy-2-pyridinyl)-fluoromethyl]aniline

2,3-dichloro-6-[(4,6-dimethoxy-2-pyridinyl)-fluoromethyl]aniline (PubChem CID 67349446) has the molecular formula C14H13Cl2FN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 2,3-dichloro-6-[(4,6-dimethoxy-2-pyridinyl)-fluoromethyl]aniline.

Molecular Properties

Compound Name2,3-dichloro-6-[(4,6-dimethoxy-2-pyridinyl)-fluoromethyl]aniline
PubChem CID67349446
Molecular FormulaC14H13Cl2FN2O2
Molecular Weight331.17 g/mol
Exact Mass330.03
IUPAC Name2,3-dichloro-6-[(4,6-dimethoxy-2-pyridinyl)-fluoromethyl]aniline
SMILESCOc1cc(OC)nc(C(F)c2ccc(Cl)c(Cl)c2N)c1
InChIInChI=1S/C14H13Cl2FN2O2/c1-20-7-5-10(19-11(6-7)21-2)13(17)8-3-4-9(15)12(16)14(8)18/h3-6,13H,18H2,1-2H3
InChIKeyVEGDXFVKDCXOMA-UHFFFAOYSA-N
XLogP4.05
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-6-[(4,6-dimethoxy-2-pyridinyl)-fluoromethyl]aniline?
The IUPAC name of 2,3-dichloro-6-[(4,6-dimethoxy-2-pyridinyl)-fluoromethyl]aniline (CID 67349446) is 2,3-dichloro-6-[(4,6-dimethoxy-2-pyridinyl)-fluoromethyl]aniline.
What is the SMILES notation for 2,3-dichloro-6-[(4,6-dimethoxy-2-pyridinyl)-fluoromethyl]aniline?
The canonical SMILES for 2,3-dichloro-6-[(4,6-dimethoxy-2-pyridinyl)-fluoromethyl]aniline is COc1cc(OC)nc(C(F)c2ccc(Cl)c(Cl)c2N)c1.
What is the InChIKey of 2,3-dichloro-6-[(4,6-dimethoxy-2-pyridinyl)-fluoromethyl]aniline?
The InChIKey is VEGDXFVKDCXOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2O2/c1-20-7-5-10(19-11(6-7)21-2)13(17)8-3-4-9(15)12(16)14(8)18/h3-6,13H,18H2,1-2H3.
What are the key properties of 2,3-dichloro-6-[(4,6-dimethoxy-2-pyridinyl)-fluoromethyl]aniline?
2,3-dichloro-6-[(4,6-dimethoxy-2-pyridinyl)-fluoromethyl]aniline has a molecular weight of 331.17 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-6-[(4,6-dimethoxy-2-pyridinyl)-fluoromethyl]aniline is sourced from PubChem (CID 67349446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).