N-[(6-chloro-2-pyridinyl)methyl]-N-ethyl-2-fluoroaniline

C14H14ClFN2 — CID 79046171

IUPACN-[(6-chloro-2-pyridinyl)methyl]-N-ethyl-2-fluoroaniline
SMILESCCN(Cc1cccc(Cl)n1)c1ccccc1F
InChIInChI=1S/C14H14ClFN2/c1-2-18(13-8-4-3-7-12(13)16)10-11-6-5-9-14(15)17-11/h3-9H,2,10H2,1H3
InChIKeyLVWNCBNXLNGSOQ-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.90
Rot. Bonds4

About N-[(6-chloro-2-pyridinyl)methyl]-N-ethyl-2-fluoroaniline

N-[(6-chloro-2-pyridinyl)methyl]-N-ethyl-2-fluoroaniline (PubChem CID 79046171) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is N-[(6-chloro-2-pyridinyl)methyl]-N-ethyl-2-fluoroaniline.

Molecular Properties

Compound NameN-[(6-chloro-2-pyridinyl)methyl]-N-ethyl-2-fluoroaniline
PubChem CID79046171
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC NameN-[(6-chloro-2-pyridinyl)methyl]-N-ethyl-2-fluoroaniline
SMILESCCN(Cc1cccc(Cl)n1)c1ccccc1F
InChIInChI=1S/C14H14ClFN2/c1-2-18(13-8-4-3-7-12(13)16)10-11-6-5-9-14(15)17-11/h3-9H,2,10H2,1H3
InChIKeyLVWNCBNXLNGSOQ-UHFFFAOYSA-N
XLogP3.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.90
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-[(6-chloro-2-pyridinyl)methyl]-N-ethyl-2-fluoroaniline?
The IUPAC name of N-[(6-chloro-2-pyridinyl)methyl]-N-ethyl-2-fluoroaniline (CID 79046171) is N-[(6-chloro-2-pyridinyl)methyl]-N-ethyl-2-fluoroaniline.
What is the SMILES notation for N-[(6-chloro-2-pyridinyl)methyl]-N-ethyl-2-fluoroaniline?
The canonical SMILES for N-[(6-chloro-2-pyridinyl)methyl]-N-ethyl-2-fluoroaniline is CCN(Cc1cccc(Cl)n1)c1ccccc1F.
What is the InChIKey of N-[(6-chloro-2-pyridinyl)methyl]-N-ethyl-2-fluoroaniline?
The InChIKey is LVWNCBNXLNGSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-2-18(13-8-4-3-7-12(13)16)10-11-6-5-9-14(15)17-11/h3-9H,2,10H2,1H3.
What are the key properties of N-[(6-chloro-2-pyridinyl)methyl]-N-ethyl-2-fluoroaniline?
N-[(6-chloro-2-pyridinyl)methyl]-N-ethyl-2-fluoroaniline has a molecular weight of 264.73 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-2-pyridinyl)methyl]-N-ethyl-2-fluoroaniline is sourced from PubChem (CID 79046171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).