N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6-methylpyridine-3-carboxamide

C11H13BrF2N2O — CID 107491529

IUPACN-(2-bromoethyl)-N-(2,2-difluoroethyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(CCBr)CC(F)F)cn1
InChIInChI=1S/C11H13BrF2N2O/c1-8-2-3-9(6-15-8)11(17)16(5-4-12)7-10(13)14/h2-3,6,10H,4-5,7H2,1H3
InChIKeyKVGJFWDZBUQHCB-UHFFFAOYSA-N
MW307.14 g/mol
LogP2.49
Rot. Bonds5

About N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6-methylpyridine-3-carboxamide

N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6-methylpyridine-3-carboxamide (PubChem CID 107491529) has the molecular formula C11H13BrF2N2O and a molecular weight of 307.14 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-6-methylpyridine-3-carboxamide
PubChem CID107491529
Molecular FormulaC11H13BrF2N2O
Molecular Weight307.14 g/mol
Exact Mass306.02
IUPAC NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(CCBr)CC(F)F)cn1
InChIInChI=1S/C11H13BrF2N2O/c1-8-2-3-9(6-15-8)11(17)16(5-4-12)7-10(13)14/h2-3,6,10H,4-5,7H2,1H3
InChIKeyKVGJFWDZBUQHCB-UHFFFAOYSA-N
XLogP2.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3,4-dihydroxybenzamide
CID 107729136
N-(2-bromoethyl)-3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide
CID 107491616
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2H-triazole-4-carboxamide
CID 107491755
N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 63395365
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-methoxy-4-nitrobenzamide
CID 107491672
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-1-methylimidazole-4-carboxamide
CID 107975497
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-hydroxy-2-methylbenzamide
CID 107491853
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-methylfuran-3-carboxamide
CID 107491884
3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62826642
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-methylfuran-2-carboxamide
CID 107491528
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxy-5-methylbenzamide
CID 107491889
methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate
CID 62952960

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6-methylpyridine-3-carboxamide (CID 107491529) is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)N(CCBr)CC(F)F)cn1.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6-methylpyridine-3-carboxamide?
The InChIKey is KVGJFWDZBUQHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2O/c1-8-2-3-9(6-15-8)11(17)16(5-4-12)7-10(13)14/h2-3,6,10H,4-5,7H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6-methylpyridine-3-carboxamide?
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6-methylpyridine-3-carboxamide has a molecular weight of 307.14 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 107491529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).