N-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide

C12H9BrFN3O — CID 75496322

IUPACN-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide
SMILESCc1cnc(NC(=O)c2cncc(F)c2)c(Br)c1
InChIInChI=1S/C12H9BrFN3O/c1-7-2-10(13)11(16-4-7)17-12(18)8-3-9(14)6-15-5-8/h2-6H,1H3,(H,16,17,18)
InChIKeyWQPGBIDDTWRAQS-UHFFFAOYSA-N
MW310.13 g/mol
LogP2.94
Rot. Bonds2

About N-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide

N-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide (PubChem CID 75496322) has the molecular formula C12H9BrFN3O and a molecular weight of 310.13 g/mol. Its IUPAC name is N-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide
PubChem CID75496322
Molecular FormulaC12H9BrFN3O
Molecular Weight310.13 g/mol
Exact Mass308.99
IUPAC NameN-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide
SMILESCc1cnc(NC(=O)c2cncc(F)c2)c(Br)c1
InChIInChI=1S/C12H9BrFN3O/c1-7-2-10(13)11(16-4-7)17-12(18)8-3-9(14)6-15-5-8/h2-6H,1H3,(H,16,17,18)
InChIKeyWQPGBIDDTWRAQS-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea
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N-(4-bromo-3-fluorophenyl)-5-fluoropyridine-3-carboxamide
CID 115694774
N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide
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CID 75388632
5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 115694727
N-(3-bromo-5-methyl-2-pyridinyl)-5-cyclopropyl-2-fluorobenzamide
CID 167864596
N-(3-bromo-5-fluoro-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide
CID 110495864
5-fluoro-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide
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3-[(5-fluoropyridine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 104785610
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CID 104785745

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide (CID 75496322) is N-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide is Cc1cnc(NC(=O)c2cncc(F)c2)c(Br)c1.
What is the InChIKey of N-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide?
The InChIKey is WQPGBIDDTWRAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O/c1-7-2-10(13)11(16-4-7)17-12(18)8-3-9(14)6-15-5-8/h2-6H,1H3,(H,16,17,18).
What are the key properties of N-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide?
N-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide has a molecular weight of 310.13 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 75496322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).