[amino-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methylidene]azanium

C13H11ClN5+ — CID 137254292

IUPAC[amino-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methylidene]azanium
SMILESNC(=[NH2+])c1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C13H10ClN5/c14-10-6-5-9-13(18-10)19-12(17-9)8-3-1-7(2-4-8)11(15)16/h1-6H,(H3,15,16)(H,17,18,19)/p+1
InChIKeyUVJLFSHLXAQKKJ-UHFFFAOYSA-O
MW272.72 g/mol
LogP0.74
Rot. Bonds2

About [amino-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methylidene]azanium

[amino-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methylidene]azanium (PubChem CID 137254292) has the molecular formula C13H11ClN5+ and a molecular weight of 272.72 g/mol. Its IUPAC name is [amino-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methylidene]azanium.

Molecular Properties

Compound Name[amino-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methylidene]azanium
PubChem CID137254292
Molecular FormulaC13H11ClN5+
Molecular Weight272.72 g/mol
Exact Mass272.07
IUPAC Name[amino-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methylidene]azanium
SMILESNC(=[NH2+])c1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1
InChIInChI=1S/C13H10ClN5/c14-10-6-5-9-13(18-10)19-12(17-9)8-3-1-7(2-4-8)11(15)16/h1-6H,(H3,15,16)(H,17,18,19)/p+1
InChIKeyUVJLFSHLXAQKKJ-UHFFFAOYSA-O
XLogP0.74
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.72
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-5-chloro-1H-imidazo[4,5-b]pyridine
CID 24904057
5-chloro-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;6-chloropyridine-2,3-diamine;4-fluorobenzoic acid
CID 159753529
5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 90357310
2-(3-bromophenyl)-5-chloro-1H-imidazo[4,5-b]pyridine
CID 24904047
5-chloro-2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine
CID 24904041
5-chloro-2-[6-(difluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine
CID 135201820
5-chloro-2-[6-(trifluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine
CID 135201262
4-[4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzoic acid
CID 167974159
2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821392
5-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol
CID 107704580
4-(1H-imidazo[4,5-b]pyridin-2-yl)benzohydrazide
CID 138857529
4-(1H-benzimidazol-2-yl)benzamide
CID 56736972

Frequently Asked Questions

What is the IUPAC name of [amino-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methylidene]azanium?
The IUPAC name of [amino-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methylidene]azanium (CID 137254292) is [amino-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methylidene]azanium.
What is the SMILES notation for [amino-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methylidene]azanium?
The canonical SMILES for [amino-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methylidene]azanium is NC(=[NH2+])c1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1.
What is the InChIKey of [amino-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methylidene]azanium?
The InChIKey is UVJLFSHLXAQKKJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H10ClN5/c14-10-6-5-9-13(18-10)19-12(17-9)8-3-1-7(2-4-8)11(15)16/h1-6H,(H3,15,16)(H,17,18,19)/p+1.
What are the key properties of [amino-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methylidene]azanium?
[amino-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methylidene]azanium has a molecular weight of 272.72 g/mol, XLogP of 0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[4-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]methylidene]azanium is sourced from PubChem (CID 137254292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).