2-chloro-5-methoxy-4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline

C14H13ClN4O — CID 79795352

IUPAC2-chloro-5-methoxy-4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
SMILESCOc1cc(N)c(Cl)cc1-c1nc2ncc(C)cc2[nH]1
InChIInChI=1S/C14H13ClN4O/c1-7-3-11-14(17-6-7)19-13(18-11)8-4-9(15)10(16)5-12(8)20-2/h3-6H,16H2,1-2H3,(H,17,18,19)
InChIKeyFAUWQPNCSXIAIU-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.18
Rot. Bonds2

About 2-chloro-5-methoxy-4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline

2-chloro-5-methoxy-4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline (PubChem CID 79795352) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 2-chloro-5-methoxy-4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-5-methoxy-4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
PubChem CID79795352
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name2-chloro-5-methoxy-4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
SMILESCOc1cc(N)c(Cl)cc1-c1nc2ncc(C)cc2[nH]1
InChIInChI=1S/C14H13ClN4O/c1-7-3-11-14(17-6-7)19-13(18-11)8-4-9(15)10(16)5-12(8)20-2/h3-6H,16H2,1-2H3,(H,17,18,19)
InChIKeyFAUWQPNCSXIAIU-UHFFFAOYSA-N
XLogP3.18
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The IUPAC name of 2-chloro-5-methoxy-4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline (CID 79795352) is 2-chloro-5-methoxy-4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline.
What is the SMILES notation for 2-chloro-5-methoxy-4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The canonical SMILES for 2-chloro-5-methoxy-4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline is COc1cc(N)c(Cl)cc1-c1nc2ncc(C)cc2[nH]1.
What is the InChIKey of 2-chloro-5-methoxy-4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The InChIKey is FAUWQPNCSXIAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-7-3-11-14(17-6-7)19-13(18-11)8-4-9(15)10(16)5-12(8)20-2/h3-6H,16H2,1-2H3,(H,17,18,19).
What are the key properties of 2-chloro-5-methoxy-4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
2-chloro-5-methoxy-4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline has a molecular weight of 288.74 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-4-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline is sourced from PubChem (CID 79795352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).