N-(2-chloroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C12H14ClF3N2O2 — CID 114909425

IUPACN-(2-chloroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOCCN(CCCl)C(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H14ClF3N2O2/c1-20-7-6-18(5-4-13)11(19)10-3-2-9(8-17-10)12(14,15)16/h2-3,8H,4-7H2,1H3
InChIKeyRIVWLRWWYCEFQM-UHFFFAOYSA-N
MW310.70 g/mol
LogP2.43
Rot. Bonds6

About N-(2-chloroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide

N-(2-chloroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 114909425) has the molecular formula C12H14ClF3N2O2 and a molecular weight of 310.70 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID114909425
Molecular FormulaC12H14ClF3N2O2
Molecular Weight310.70 g/mol
Exact Mass310.07
IUPAC NameN-(2-chloroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOCCN(CCCl)C(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H14ClF3N2O2/c1-20-7-6-18(5-4-13)11(19)10-3-2-9(8-17-10)12(14,15)16/h2-3,8H,4-7H2,1H3
InChIKeyRIVWLRWWYCEFQM-UHFFFAOYSA-N
XLogP2.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.70
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154762971
N-(2-methoxyethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113249806
N-(2-chloro-3-methoxypropyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909335
4-methoxy-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one
CID 105135540
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107492556
N'-(2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
CID 169111998
N-[3-(2-chloroethoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 106306680
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107483074
N-(2-amino-2-sulfanylideneethyl)-N-propyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908478
N,N-bis(2-chloroethyl)-4-(trifluoromethyl)benzamide
CID 98658820
N-(2-chloroethyl)-5-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107492296
5-(N'-hydroxycarbamimidoyl)-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide
CID 76951862

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 114909425) is N-(2-chloroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide is COCCN(CCCl)C(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(2-chloroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is RIVWLRWWYCEFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2/c1-20-7-6-18(5-4-13)11(19)10-3-2-9(8-17-10)12(14,15)16/h2-3,8H,4-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(2-chloroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 310.70 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 114909425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).