3-fluoro-4-(1-propylimidazo[4,5-c]pyridin-2-yl)aniline

C15H15FN4 — CID 107793644

IUPAC3-fluoro-4-(1-propylimidazo[4,5-c]pyridin-2-yl)aniline
SMILESCCCn1c(-c2ccc(N)cc2F)nc2cnccc21
InChIInChI=1S/C15H15FN4/c1-2-7-20-14-5-6-18-9-13(14)19-15(20)11-4-3-10(17)8-12(11)16/h3-6,8-9H,2,7,17H2,1H3
InChIKeyANLOIFMIRBSZNF-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.23
Rot. Bonds3

About 3-fluoro-4-(1-propylimidazo[4,5-c]pyridin-2-yl)aniline

3-fluoro-4-(1-propylimidazo[4,5-c]pyridin-2-yl)aniline (PubChem CID 107793644) has the molecular formula C15H15FN4 and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-fluoro-4-(1-propylimidazo[4,5-c]pyridin-2-yl)aniline.

Molecular Properties

Compound Name3-fluoro-4-(1-propylimidazo[4,5-c]pyridin-2-yl)aniline
PubChem CID107793644
Molecular FormulaC15H15FN4
Molecular Weight270.31 g/mol
Exact Mass270.13
IUPAC Name3-fluoro-4-(1-propylimidazo[4,5-c]pyridin-2-yl)aniline
SMILESCCCn1c(-c2ccc(N)cc2F)nc2cnccc21
InChIInChI=1S/C15H15FN4/c1-2-7-20-14-5-6-18-9-13(14)19-15(20)11-4-3-10(17)8-12(11)16/h3-6,8-9H,2,7,17H2,1H3
InChIKeyANLOIFMIRBSZNF-UHFFFAOYSA-N
XLogP3.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-(1-propylimidazo[4,5-c]pyridin-2-yl)phenol
CID 136750904
4-[2-(1-propylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
CID 115339636
4-bromo-3-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 115296231
5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diamine
CID 114003749
(1-methylpyrazol-4-yl)-(1-propylimidazo[4,5-c]pyridin-2-yl)methanamine
CID 115288633
3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine
CID 60784251
1-ethyl-2-methylimidazo[4,5-c]pyridine
CID 147300637
2-(2-fluorophenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040443
4-(2-methylimidazo[4,5-c]pyridin-1-yl)butan-1-amine
CID 19864517
2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline
CID 63187871
5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine
CID 107811482
5-(5-fluoro-1-propylbenzimidazol-2-yl)pyridin-2-amine
CID 63262376

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1-propylimidazo[4,5-c]pyridin-2-yl)aniline?
The IUPAC name of 3-fluoro-4-(1-propylimidazo[4,5-c]pyridin-2-yl)aniline (CID 107793644) is 3-fluoro-4-(1-propylimidazo[4,5-c]pyridin-2-yl)aniline.
What is the SMILES notation for 3-fluoro-4-(1-propylimidazo[4,5-c]pyridin-2-yl)aniline?
The canonical SMILES for 3-fluoro-4-(1-propylimidazo[4,5-c]pyridin-2-yl)aniline is CCCn1c(-c2ccc(N)cc2F)nc2cnccc21.
What is the InChIKey of 3-fluoro-4-(1-propylimidazo[4,5-c]pyridin-2-yl)aniline?
The InChIKey is ANLOIFMIRBSZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4/c1-2-7-20-14-5-6-18-9-13(14)19-15(20)11-4-3-10(17)8-12(11)16/h3-6,8-9H,2,7,17H2,1H3.
What are the key properties of 3-fluoro-4-(1-propylimidazo[4,5-c]pyridin-2-yl)aniline?
3-fluoro-4-(1-propylimidazo[4,5-c]pyridin-2-yl)aniline has a molecular weight of 270.31 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1-propylimidazo[4,5-c]pyridin-2-yl)aniline is sourced from PubChem (CID 107793644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).