N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

C12H14F4N2O — CID 113240838

IUPACN-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1ccncc1F
InChIInChI=1S/C12H14F4N2O/c1-2-3-6-18(8-12(14,15)16)11(19)9-4-5-17-7-10(9)13/h4-5,7H,2-3,6,8H2,1H3
InChIKeyHOGDCIOWMKVHFE-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.03
Rot. Bonds5

About N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 113240838) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID113240838
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC NameN-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1ccncc1F
InChIInChI=1S/C12H14F4N2O/c1-2-3-6-18(8-12(14,15)16)11(19)9-4-5-17-7-10(9)13/h4-5,7H,2-3,6,8H2,1H3
InChIKeyHOGDCIOWMKVHFE-UHFFFAOYSA-N
XLogP3.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(diethylamino)propyl]-N-ethyl-3-fluoropyridine-4-carboxamide
CID 102992706
N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide
CID 115646479
N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80719091
3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide
CID 64950885
N-(2-hydroxyethyl)-3-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 107486117
N-ethyl-3-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105068933
N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 78883116
N-butyl-4-chloro-2-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 52637937
3-amino-N-butyl-N-ethylpyridine-4-carboxamide
CID 105068020
2,5-dibromo-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 114371542
N-ethyl-3-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105071681
2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 79786127

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 113240838) is N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1ccncc1F.
What is the InChIKey of N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is HOGDCIOWMKVHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c1-2-3-6-18(8-12(14,15)16)11(19)9-4-5-17-7-10(9)13/h4-5,7H,2-3,6,8H2,1H3.
What are the key properties of N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 278.25 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 113240838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).