4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine

C14H12FN3 — CID 82376080

IUPAC4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESCc1cc(-c2ccnc3[nH]cc(N)c23)ccc1F
InChIInChI=1S/C14H12FN3/c1-8-6-9(2-3-11(8)15)10-4-5-17-14-13(10)12(16)7-18-14/h2-7H,16H2,1H3,(H,17,18)
InChIKeyXKYOAJBLIQXNSV-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.26
Rot. Bonds1

About 4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine

4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine (PubChem CID 82376080) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
PubChem CID82376080
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESCc1cc(-c2ccnc3[nH]cc(N)c23)ccc1F
InChIInChI=1S/C14H12FN3/c1-8-6-9(2-3-11(8)15)10-4-5-17-14-13(10)12(16)7-18-14/h2-7H,16H2,1H3,(H,17,18)
InChIKeyXKYOAJBLIQXNSV-UHFFFAOYSA-N
XLogP3.26
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxy-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 82376081
4-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 71120523
[4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine
CID 170449818
2-amino-1-[(3R,5S)-4-[4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-methylphenyl]-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethanone
CID 170448917
3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]pyridin-4-amine
CID 102970530
[4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine
CID 170449805
4-(4-fluoro-3-methylphenyl)-5-methylthiophen-2-amine
CID 82472828
[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]hydrazine
CID 112559565
3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)quinoline
CID 67500514
4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol
CID 170437249
3-chloro-6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridine
CID 140765188
4-(2-fluoro-5-methylphenyl)-2-methylaniline
CID 61026096

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine (CID 82376080) is 4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine is Cc1cc(-c2ccnc3[nH]cc(N)c23)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
The InChIKey is XKYOAJBLIQXNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c1-8-6-9(2-3-11(8)15)10-4-5-17-14-13(10)12(16)7-18-14/h2-7H,16H2,1H3,(H,17,18).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine has a molecular weight of 241.27 g/mol, XLogP of 3.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine is sourced from PubChem (CID 82376080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).