6-chloro-4-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C9H8ClF3N2O2 — CID 172609966

IUPAC6-chloro-4-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCOc1cc(Cl)ncc1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H8ClF3N2O2/c1-17-6-2-7(10)14-3-5(6)8(16)15-4-9(11,12)13/h2-3H,4H2,1H3,(H,15,16)
InChIKeyPBIALLGJHPJVDM-UHFFFAOYSA-N
MW268.62 g/mol
LogP2.04
Rot. Bonds3

About 6-chloro-4-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

6-chloro-4-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 172609966) has the molecular formula C9H8ClF3N2O2 and a molecular weight of 268.62 g/mol. Its IUPAC name is 6-chloro-4-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID172609966
Molecular FormulaC9H8ClF3N2O2
Molecular Weight268.62 g/mol
Exact Mass268.02
IUPAC Name6-chloro-4-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCOc1cc(Cl)ncc1C(=O)NCC(F)(F)F
InChIInChI=1S/C9H8ClF3N2O2/c1-17-6-2-7(10)14-3-5(6)8(16)15-4-9(11,12)13/h2-3H,4H2,1H3,(H,15,16)
InChIKeyPBIALLGJHPJVDM-UHFFFAOYSA-N
XLogP2.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114917186
1-(6-chloro-4-methoxy-3-pyridinyl)-2-hydroxyethanone
CID 130729609
6-chloro-4-methoxypyridine-3-carboxamide
CID 56773831
6-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 172609889
ethyl 3-(6-chloro-4-methoxy-3-pyridinyl)-3-oxopropanoate
CID 88921815
2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 114918592
4-bromo-2-ethyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 163582712
4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786050
6-chloro-N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 90134494
2-chloro-5-(1-ethoxyethenyl)-4-methoxypyridine
CID 145142821
N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18105578
2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid
CID 107208858

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 172609966) is 6-chloro-4-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is COc1cc(Cl)ncc1C(=O)NCC(F)(F)F.
What is the InChIKey of 6-chloro-4-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is PBIALLGJHPJVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O2/c1-17-6-2-7(10)14-3-5(6)8(16)15-4-9(11,12)13/h2-3H,4H2,1H3,(H,15,16).
What are the key properties of 6-chloro-4-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
6-chloro-4-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 268.62 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172609966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).