5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide

C14H11Cl2FN2O — CID 43400487

IUPAC5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1cccc(F)c1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2FN2O/c15-12-7-10(8-19-13(12)16)14(20)18-5-4-9-2-1-3-11(17)6-9/h1-3,6-8H,4-5H2,(H,18,20)
InChIKeyRQMDKPVUAQVFFM-UHFFFAOYSA-N
MW313.16 g/mol
LogP3.50
Rot. Bonds4

About 5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide

5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 43400487) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID43400487
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1cccc(F)c1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2FN2O/c15-12-7-10(8-19-13(12)16)14(20)18-5-4-9-2-1-3-11(17)6-9/h1-3,6-8H,4-5H2,(H,18,20)
InChIKeyRQMDKPVUAQVFFM-UHFFFAOYSA-N
XLogP3.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 32695783
N-[2-(3-fluorophenyl)ethyl]-5-hydroxypyridine-3-carboxamide
CID 63866185
6-(dimethylamino)-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 39471295
4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81226046
2-fluoro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 61293442
2-(3,4-dichlorophenyl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 9051916
4-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 31799254
4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 43565816
5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 63311124
6-amino-5-chloro-N-(2-phenylethyl)pyridine-3-carboxamide
CID 55043054
5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 78968072

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide (CID 43400487) is 5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide is O=C(NCCc1cccc(F)c1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is RQMDKPVUAQVFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c15-12-7-10(8-19-13(12)16)14(20)18-5-4-9-2-1-3-11(17)6-9/h1-3,6-8H,4-5H2,(H,18,20).
What are the key properties of 5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide?
5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 313.16 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 43400487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).