N-[(3,6-dichloro-2-pyridinyl)methyl]-4-fluoro-N-methylaniline

C13H11Cl2FN2 — CID 62891490

IUPACN-[(3,6-dichloro-2-pyridinyl)methyl]-4-fluoro-N-methylaniline
SMILESCN(Cc1nc(Cl)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C13H11Cl2FN2/c1-18(10-4-2-9(16)3-5-10)8-12-11(14)6-7-13(15)17-12/h2-7H,8H2,1H3
InChIKeyCDIFNZJNSHYWML-UHFFFAOYSA-N
MW285.15 g/mol
LogP4.16
Rot. Bonds3

About N-[(3,6-dichloro-2-pyridinyl)methyl]-4-fluoro-N-methylaniline

N-[(3,6-dichloro-2-pyridinyl)methyl]-4-fluoro-N-methylaniline (PubChem CID 62891490) has the molecular formula C13H11Cl2FN2 and a molecular weight of 285.15 g/mol. Its IUPAC name is N-[(3,6-dichloro-2-pyridinyl)methyl]-4-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[(3,6-dichloro-2-pyridinyl)methyl]-4-fluoro-N-methylaniline
PubChem CID62891490
Molecular FormulaC13H11Cl2FN2
Molecular Weight285.15 g/mol
Exact Mass284.03
IUPAC NameN-[(3,6-dichloro-2-pyridinyl)methyl]-4-fluoro-N-methylaniline
SMILESCN(Cc1nc(Cl)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C13H11Cl2FN2/c1-18(10-4-2-9(16)3-5-10)8-12-11(14)6-7-13(15)17-12/h2-7H,8H2,1H3
InChIKeyCDIFNZJNSHYWML-UHFFFAOYSA-N
XLogP4.16
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dichloro-2-pyridinyl)methyl]-4-fluoro-N-methylaniline?
The IUPAC name of N-[(3,6-dichloro-2-pyridinyl)methyl]-4-fluoro-N-methylaniline (CID 62891490) is N-[(3,6-dichloro-2-pyridinyl)methyl]-4-fluoro-N-methylaniline.
What is the SMILES notation for N-[(3,6-dichloro-2-pyridinyl)methyl]-4-fluoro-N-methylaniline?
The canonical SMILES for N-[(3,6-dichloro-2-pyridinyl)methyl]-4-fluoro-N-methylaniline is CN(Cc1nc(Cl)ccc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[(3,6-dichloro-2-pyridinyl)methyl]-4-fluoro-N-methylaniline?
The InChIKey is CDIFNZJNSHYWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2/c1-18(10-4-2-9(16)3-5-10)8-12-11(14)6-7-13(15)17-12/h2-7H,8H2,1H3.
What are the key properties of N-[(3,6-dichloro-2-pyridinyl)methyl]-4-fluoro-N-methylaniline?
N-[(3,6-dichloro-2-pyridinyl)methyl]-4-fluoro-N-methylaniline has a molecular weight of 285.15 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dichloro-2-pyridinyl)methyl]-4-fluoro-N-methylaniline is sourced from PubChem (CID 62891490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).