N-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide

C9H7BrF4N2O — CID 119050352

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide
SMILESCc1nc(NC(=O)C(F)C(F)(F)F)ccc1Br
InChIInChI=1S/C9H7BrF4N2O/c1-4-5(10)2-3-6(15-4)16-8(17)7(11)9(12,13)14/h2-3,7H,1H3,(H,15,16,17)
InChIKeyRWYPIBAPNZYAHE-UHFFFAOYSA-N
MW315.06 g/mol
LogP2.99
Rot. Bonds2

About N-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide

N-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide (PubChem CID 119050352) has the molecular formula C9H7BrF4N2O and a molecular weight of 315.06 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide
PubChem CID119050352
Molecular FormulaC9H7BrF4N2O
Molecular Weight315.06 g/mol
Exact Mass313.97
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide
SMILESCc1nc(NC(=O)C(F)C(F)(F)F)ccc1Br
InChIInChI=1S/C9H7BrF4N2O/c1-4-5(10)2-3-6(15-4)16-8(17)7(11)9(12,13)14/h2-3,7H,1H3,(H,15,16,17)
InChIKeyRWYPIBAPNZYAHE-UHFFFAOYSA-N
XLogP2.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.06
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide
CID 107905424
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide
CID 79018492
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide
CID 112555732
N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79048808
propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate
CID 79048971
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide
CID 113246337
N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide
CID 69165507
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-ethylbutanamide
CID 79814305
(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 79048870
(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide
CID 79048264
(2S)-2-amino-5-[(5-bromo-6-methyl-2-pyridinyl)amino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acid
CID 71179000
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide (CID 119050352) is N-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide is Cc1nc(NC(=O)C(F)C(F)(F)F)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide?
The InChIKey is RWYPIBAPNZYAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF4N2O/c1-4-5(10)2-3-6(15-4)16-8(17)7(11)9(12,13)14/h2-3,7H,1H3,(H,15,16,17).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide has a molecular weight of 315.06 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide is sourced from PubChem (CID 119050352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).