2-(3-chloro-2-pyridinyl)-3,5-difluoro-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine

C21H13ClF2N4 — CID 141309324

IUPAC2-(3-chloro-2-pyridinyl)-3,5-difluoro-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine
SMILESCc1cccc(-c2c(F)c(-c3ccccn3)nc(-c3ncccc3Cl)c2F)n1
InChIInChI=1S/C21H13ClF2N4/c1-12-6-4-9-14(27-12)16-17(23)20(15-8-2-3-10-25-15)28-21(18(16)24)19-13(22)7-5-11-26-19/h2-11H,1H3
InChIKeyCWRHMTIRDPOEEB-UHFFFAOYSA-N
MW394.81 g/mol
LogP5.51
Rot. Bonds3

About 2-(3-chloro-2-pyridinyl)-3,5-difluoro-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine

2-(3-chloro-2-pyridinyl)-3,5-difluoro-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine (PubChem CID 141309324) has the molecular formula C21H13ClF2N4 and a molecular weight of 394.81 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-3,5-difluoro-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-3,5-difluoro-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine
PubChem CID141309324
Molecular FormulaC21H13ClF2N4
Molecular Weight394.81 g/mol
Exact Mass394.08
IUPAC Name2-(3-chloro-2-pyridinyl)-3,5-difluoro-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine
SMILESCc1cccc(-c2c(F)c(-c3ccccn3)nc(-c3ncccc3Cl)c2F)n1
InChIInChI=1S/C21H13ClF2N4/c1-12-6-4-9-14(27-12)16-17(23)20(15-8-2-3-10-25-15)28-21(18(16)24)19-13(22)7-5-11-26-19/h2-11H,1H3
InChIKeyCWRHMTIRDPOEEB-UHFFFAOYSA-N
XLogP5.51
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.81
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-2-pyridinyl)-3,5-difluoro-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine with MolForge

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Related Compounds

4'-Chloro-2,2':6',2''-terpyridine
CID 667748
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-
CID 9972674
2-(2-Chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829616
2-(3-Chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829709
Nemertelline
CID 3042423
4'-(4-Chlorophenyl)-2,2':6',2''-terpyridine
CID 10871645
1-[(4-Chloro-2-fluorophenyl)-pyridin-3-ylmethyl]-4-phenylpiperazine
CID 56672516
2-Chloro-3-[2-[2-(2-chlorophenyl)-3-pyridinyl]-1-pyridin-3-ylethyl]pyridine
CID 137657930
Pyridoclax
CID 92042827
US11458138, Example 286
CID 135368718

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)-3,5-difluoro-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-3,5-difluoro-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine (CID 141309324) is 2-(3-chloro-2-pyridinyl)-3,5-difluoro-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-3,5-difluoro-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-3,5-difluoro-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine is Cc1cccc(-c2c(F)c(-c3ccccn3)nc(-c3ncccc3Cl)c2F)n1.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-3,5-difluoro-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine?
The InChIKey is CWRHMTIRDPOEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF2N4/c1-12-6-4-9-14(27-12)16-17(23)20(15-8-2-3-10-25-15)28-21(18(16)24)19-13(22)7-5-11-26-19/h2-11H,1H3.
What are the key properties of 2-(3-chloro-2-pyridinyl)-3,5-difluoro-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine?
2-(3-chloro-2-pyridinyl)-3,5-difluoro-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine has a molecular weight of 394.81 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-3,5-difluoro-4-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine is sourced from PubChem (CID 141309324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).