2-[(3-chloroanilino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine

C13H12ClN5 — CID 79821541

IUPAC2-[(3-chloroanilino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(CNc3cccc(Cl)c3)nc2n1
InChIInChI=1S/C13H12ClN5/c14-8-2-1-3-9(6-8)16-7-12-17-10-4-5-11(15)18-13(10)19-12/h1-6,16H,7H2,(H3,15,17,18,19)
InChIKeyNQYKTRNNBJXRMU-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.81
Rot. Bonds3

About 2-[(3-chloroanilino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine

2-[(3-chloroanilino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821541) has the molecular formula C13H12ClN5 and a molecular weight of 273.73 g/mol. Its IUPAC name is 2-[(3-chloroanilino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-[(3-chloroanilino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821541
Molecular FormulaC13H12ClN5
Molecular Weight273.73 g/mol
Exact Mass273.08
IUPAC Name2-[(3-chloroanilino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(CNc3cccc(Cl)c3)nc2n1
InChIInChI=1S/C13H12ClN5/c14-8-2-1-3-9(6-8)16-7-12-17-10-4-5-11(15)18-13(10)19-12/h1-6,16H,7H2,(H3,15,17,18,19)
InChIKeyNQYKTRNNBJXRMU-UHFFFAOYSA-N
XLogP2.81
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloroanilino)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821467
2-(anilinomethyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821045
2-[(3-aminophenyl)methyl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820939
3-chloro-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 61277734
2-(methoxymethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821303
2-[(3-chloroanilino)methyl]pyrimidin-5-amine
CID 105495577
3-chloro-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 61353986
2-(5-aminopentyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820779
2-[(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 80741043
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821394
2-(2-amino-3,5-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820784

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloroanilino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-[(3-chloroanilino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821541) is 2-[(3-chloroanilino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-[(3-chloroanilino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-[(3-chloroanilino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine is Nc1ccc2[nH]c(CNc3cccc(Cl)c3)nc2n1.
What is the InChIKey of 2-[(3-chloroanilino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is NQYKTRNNBJXRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5/c14-8-2-1-3-9(6-8)16-7-12-17-10-4-5-11(15)18-13(10)19-12/h1-6,16H,7H2,(H3,15,17,18,19).
What are the key properties of 2-[(3-chloroanilino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine?
2-[(3-chloroanilino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 273.73 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloroanilino)methyl]-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).