1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4-carboxylic acid

C10H8BrN3O2 — CID 79718030

IUPAC1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4-carboxylic acid
SMILESCc1cc(Br)cnc1-n1cnc(C(=O)O)c1
InChIInChI=1S/C10H8BrN3O2/c1-6-2-7(11)3-12-9(6)14-4-8(10(15)16)13-5-14/h2-5H,1H3,(H,15,16)
InChIKeySBZMYRYJGNFHKE-UHFFFAOYSA-N
MW282.10 g/mol
LogP2.04
Rot. Bonds2

About 1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4-carboxylic acid

1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4-carboxylic acid (PubChem CID 79718030) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4-carboxylic acid
PubChem CID79718030
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC Name1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4-carboxylic acid
SMILESCc1cc(Br)cnc1-n1cnc(C(=O)O)c1
InChIInChI=1S/C10H8BrN3O2/c1-6-2-7(11)3-12-9(6)14-4-8(10(15)16)13-5-14/h2-5H,1H3,(H,15,16)
InChIKeySBZMYRYJGNFHKE-UHFFFAOYSA-N
XLogP2.04
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazo[1,2-a]pyridine-2-carboxylic acid
CID 2062168
Imidazo(1,2-a)pyridine-3-carboxylic acid
CID 73142
6-Bromo-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 5260648
3-Aminoimidazo[1,2-A]pyridine-2-carboxylic acid
CID 76326129
Imidazo(1,2-a)pyridine-3-carboxylic acid, 7-methyl-
CID 89055
5-Methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 2062169
6-(Trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 27282729
6-Bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 12872599
Methyl 3-(pyridin-3-ylmethyl)imidazole-4-carboxylate
CID 24828316
methyl 3-[(1R)-1-pyridin-3-ylethyl]imidazole-4-carboxylate
CID 24828446
Methyl 1-(6-methylpyridin-2-yl)-1H-imidazole-4-carboxylate
CID 2764064
1-(6-methyl-2-pyridinyl)-1H-imidazole-4-carboxylic acid
CID 1480005

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4-carboxylic acid (CID 79718030) is 1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4-carboxylic acid is Cc1cc(Br)cnc1-n1cnc(C(=O)O)c1.
What is the InChIKey of 1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4-carboxylic acid?
The InChIKey is SBZMYRYJGNFHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c1-6-2-7(11)3-12-9(6)14-4-8(10(15)16)13-5-14/h2-5H,1H3,(H,15,16).
What are the key properties of 1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4-carboxylic acid?
1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4-carboxylic acid has a molecular weight of 282.10 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 79718030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).