4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine

C10H7Br2N5 — CID 10089677

IUPAC4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine
SMILESNc1nc2c(-c3cc(Br)c(Br)[nH]3)nccc2[nH]1
InChIInChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
InChIKeyQAKGJAQGTQLMFN-UHFFFAOYSA-N
MW357.01 g/mol
LogP3.06
Rot. Bonds1

About 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine

4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine (PubChem CID 10089677) has the molecular formula C10H7Br2N5 and a molecular weight of 357.01 g/mol. Its IUPAC name is 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine
PubChem CID10089677
Molecular FormulaC10H7Br2N5
Molecular Weight357.01 g/mol
Exact Mass354.91
IUPAC Name4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine
SMILESNc1nc2c(-c3cc(Br)c(Br)[nH]3)nccc2[nH]1
InChIInChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
InChIKeyQAKGJAQGTQLMFN-UHFFFAOYSA-N
XLogP3.06
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.01
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine (CID 10089677) is 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine is Nc1nc2c(-c3cc(Br)c(Br)[nH]3)nccc2[nH]1.
What is the InChIKey of 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine?
The InChIKey is QAKGJAQGTQLMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17).
What are the key properties of 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine?
4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine has a molecular weight of 357.01 g/mol, XLogP of 3.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 10089677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).