3-bromo-N-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C12H12BrF3N2O — CID 100625538

IUPAC3-bromo-N-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESO=C(c1ncccc1Br)N(CC1CC1)CC(F)(F)F
InChIInChI=1S/C12H12BrF3N2O/c13-9-2-1-5-17-10(9)11(19)18(6-8-3-4-8)7-12(14,15)16/h1-2,5,8H,3-4,6-7H2
InChIKeyOSRISIHADUJRCM-UHFFFAOYSA-N
MW337.14 g/mol
LogP3.26
Rot. Bonds4

About 3-bromo-N-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

3-bromo-N-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 100625538) has the molecular formula C12H12BrF3N2O and a molecular weight of 337.14 g/mol. Its IUPAC name is 3-bromo-N-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID100625538
Molecular FormulaC12H12BrF3N2O
Molecular Weight337.14 g/mol
Exact Mass336.01
IUPAC Name3-bromo-N-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESO=C(c1ncccc1Br)N(CC1CC1)CC(F)(F)F
InChIInChI=1S/C12H12BrF3N2O/c13-9-2-1-5-17-10(9)11(19)18(6-8-3-4-8)7-12(14,15)16/h1-2,5,8H,3-4,6-7H2
InChIKeyOSRISIHADUJRCM-UHFFFAOYSA-N
XLogP3.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.14
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 100625538) is 3-bromo-N-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is O=C(c1ncccc1Br)N(CC1CC1)CC(F)(F)F.
What is the InChIKey of 3-bromo-N-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is OSRISIHADUJRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF3N2O/c13-9-2-1-5-17-10(9)11(19)18(6-8-3-4-8)7-12(14,15)16/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 3-bromo-N-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
3-bromo-N-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 337.14 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyclopropylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 100625538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).