2-(2-amino-5-bromophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine

C14H14BrN5 — CID 79816424

IUPAC2-(2-amino-5-bromophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCN(C)c1ccc2[nH]c(-c3cc(Br)ccc3N)nc2n1
InChIInChI=1S/C14H14BrN5/c1-20(2)12-6-5-11-14(18-12)19-13(17-11)9-7-8(15)3-4-10(9)16/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyRVQYHRYYXYYAKV-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.04
Rot. Bonds2

About 2-(2-amino-5-bromophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine

2-(2-amino-5-bromophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79816424) has the molecular formula C14H14BrN5 and a molecular weight of 332.21 g/mol. Its IUPAC name is 2-(2-amino-5-bromophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(2-amino-5-bromophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79816424
Molecular FormulaC14H14BrN5
Molecular Weight332.21 g/mol
Exact Mass331.04
IUPAC Name2-(2-amino-5-bromophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCN(C)c1ccc2[nH]c(-c3cc(Br)ccc3N)nc2n1
InChIInChI=1S/C14H14BrN5/c1-20(2)12-6-5-11-14(18-12)19-13(17-11)9-7-8(15)3-4-10(9)16/h3-7H,16H2,1-2H3,(H,17,18,19)
InChIKeyRVQYHRYYXYYAKV-UHFFFAOYSA-N
XLogP3.04
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-bromophenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79822088
2-amino-5-[5-(dimethylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenol
CID 79815748
2-(2-bromophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821265
2-(2,5-dimethylphenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821345
2-(2-amino-3-chlorophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 107049984
4-chloro-3-[5-(dimethylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenol
CID 106502361
2-(5-bromo-2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820972
5-bromo-2-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 79816047
4-bromo-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 82947294
4-bromo-2-(4,5-diphenyl-1H-imidazol-2-yl)aniline
CID 139235827
2-(3,4-difluorophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820763
2-(2-amino-5-iodophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821967

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(2-amino-5-bromophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 79816424) is 2-(2-amino-5-bromophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(2-amino-5-bromophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(2-amino-5-bromophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine is CN(C)c1ccc2[nH]c(-c3cc(Br)ccc3N)nc2n1.
What is the InChIKey of 2-(2-amino-5-bromophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is RVQYHRYYXYYAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5/c1-20(2)12-6-5-11-14(18-12)19-13(17-11)9-7-8(15)3-4-10(9)16/h3-7H,16H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(2-amino-5-bromophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-(2-amino-5-bromophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 332.21 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromophenyl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79816424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).