7-chloro-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine

C19H13ClFN3 — CID 90096306

IUPAC7-chloro-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine
SMILESCc1cc(-c2ncccc2-c2cn3ccnc3cc2Cl)ccc1F
InChIInChI=1S/C19H13ClFN3/c1-12-9-13(4-5-17(12)21)19-14(3-2-6-23-19)15-11-24-8-7-22-18(24)10-16(15)20/h2-11H,1H3
InChIKeyNIPBGIWCJBEMQP-UHFFFAOYSA-N
MW337.79 g/mol
LogP5.16
Rot. Bonds2

About 7-chloro-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine

7-chloro-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine (PubChem CID 90096306) has the molecular formula C19H13ClFN3 and a molecular weight of 337.79 g/mol. Its IUPAC name is 7-chloro-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-chloro-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine
PubChem CID90096306
Molecular FormulaC19H13ClFN3
Molecular Weight337.79 g/mol
Exact Mass337.08
IUPAC Name7-chloro-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine
SMILESCc1cc(-c2ncccc2-c2cn3ccnc3cc2Cl)ccc1F
InChIInChI=1S/C19H13ClFN3/c1-12-9-13(4-5-17(12)21)19-14(3-2-6-23-19)15-11-24-8-7-22-18(24)10-16(15)20/h2-11H,1H3
InChIKeyNIPBGIWCJBEMQP-UHFFFAOYSA-N
XLogP5.16
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.79
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine?
The IUPAC name of 7-chloro-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine (CID 90096306) is 7-chloro-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-chloro-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 7-chloro-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine is Cc1cc(-c2ncccc2-c2cn3ccnc3cc2Cl)ccc1F.
What is the InChIKey of 7-chloro-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine?
The InChIKey is NIPBGIWCJBEMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3/c1-12-9-13(4-5-17(12)21)19-14(3-2-6-23-19)15-11-24-8-7-22-18(24)10-16(15)20/h2-11H,1H3.
What are the key properties of 7-chloro-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine?
7-chloro-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine has a molecular weight of 337.79 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 90096306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).