2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethanamine

C14H13FN4 — CID 53007688

IUPAC2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
SMILESNCCn1c(-c2ccc(F)cc2)nc2cccnc21
InChIInChI=1S/C14H13FN4/c15-11-5-3-10(4-6-11)13-18-12-2-1-8-17-14(12)19(13)9-7-16/h1-6,8H,7,9,16H2
InChIKeyDJCXVFJPNRNQTA-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.20
Rot. Bonds3

About 2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethanamine

2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethanamine (PubChem CID 53007688) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
PubChem CID53007688
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
SMILESNCCn1c(-c2ccc(F)cc2)nc2cccnc21
InChIInChI=1S/C14H13FN4/c15-11-5-3-10(4-6-11)13-18-12-2-1-8-17-14(12)19(13)9-7-16/h1-6,8H,7,9,16H2
InChIKeyDJCXVFJPNRNQTA-UHFFFAOYSA-N
XLogP2.20
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethanamine (CID 53007688) is 2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethanamine is NCCn1c(-c2ccc(F)cc2)nc2cccnc21.
What is the InChIKey of 2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
The InChIKey is DJCXVFJPNRNQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c15-11-5-3-10(4-6-11)13-18-12-2-1-8-17-14(12)19(13)9-7-16/h1-6,8H,7,9,16H2.
What are the key properties of 2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethanamine?
2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethanamine has a molecular weight of 256.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethanamine is sourced from PubChem (CID 53007688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).