N-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

C11H10F4N2O — CID 55010203

IUPACN-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESO=C(c1ccnc(F)c1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H10F4N2O/c12-9-5-7(3-4-16-9)10(18)17(8-1-2-8)6-11(13,14)15/h3-5,8H,1-2,6H2
InChIKeyJWMAJNRKVCVDAO-UHFFFAOYSA-N
MW262.21 g/mol
LogP2.39
Rot. Bonds3

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

N-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 55010203) has the molecular formula C11H10F4N2O and a molecular weight of 262.21 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID55010203
Molecular FormulaC11H10F4N2O
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC NameN-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESO=C(c1ccnc(F)c1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H10F4N2O/c12-9-5-7(3-4-16-9)10(18)17(8-1-2-8)6-11(13,14)15/h3-5,8H,1-2,6H2
InChIKeyJWMAJNRKVCVDAO-UHFFFAOYSA-N
XLogP2.39
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 52.39
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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Related Compounds

N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 60565522
N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61410101
N-cyclopropyl-6-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 115497708
5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 54984054
2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614111
N-cyclopropyl-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78948676
5-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62238262
2-[cyclopropylmethyl-(2-fluoropyridine-4-carbonyl)amino]acetic acid
CID 114036488
2-amino-6-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 55041654
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-fluoropyridine-4-carboxamide
CID 113229925
N-cyclopropyl-3-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 167874796
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 71796138

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 55010203) is N-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is O=C(c1ccnc(F)c1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is JWMAJNRKVCVDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2O/c12-9-5-7(3-4-16-9)10(18)17(8-1-2-8)6-11(13,14)15/h3-5,8H,1-2,6H2.
What are the key properties of N-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
N-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 262.21 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 55010203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).