3-chloro-4-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline

C14H13ClN4 — CID 55241902

IUPAC3-chloro-4-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline
SMILESCCn1c(-c2ccc(N)cc2Cl)nc2cccnc21
InChIInChI=1S/C14H13ClN4/c1-2-19-13(10-6-5-9(16)8-11(10)15)18-12-4-3-7-17-14(12)19/h3-8H,2,16H2,1H3
InChIKeySSTYXKPRKPVRMT-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.35
Rot. Bonds2

About 3-chloro-4-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline

3-chloro-4-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline (PubChem CID 55241902) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 3-chloro-4-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline.

Molecular Properties

Compound Name3-chloro-4-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline
PubChem CID55241902
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name3-chloro-4-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline
SMILESCCn1c(-c2ccc(N)cc2Cl)nc2cccnc21
InChIInChI=1S/C14H13ClN4/c1-2-19-13(10-6-5-9(16)8-11(10)15)18-12-4-3-7-17-14(12)19/h3-8H,2,16H2,1H3
InChIKeySSTYXKPRKPVRMT-UHFFFAOYSA-N
XLogP3.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.35
H-Bond Donors ≤ 51
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 3-chloro-4-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline?
The IUPAC name of 3-chloro-4-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline (CID 55241902) is 3-chloro-4-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline.
What is the SMILES notation for 3-chloro-4-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline?
The canonical SMILES for 3-chloro-4-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline is CCn1c(-c2ccc(N)cc2Cl)nc2cccnc21.
What is the InChIKey of 3-chloro-4-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline?
The InChIKey is SSTYXKPRKPVRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-2-19-13(10-6-5-9(16)8-11(10)15)18-12-4-3-7-17-14(12)19/h3-8H,2,16H2,1H3.
What are the key properties of 3-chloro-4-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline?
3-chloro-4-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline has a molecular weight of 272.74 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-ethylimidazo[4,5-b]pyridin-2-yl)aniline is sourced from PubChem (CID 55241902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).