5-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-pyridinyl]-2-ethylpyridine

C20H18ClF2N3 — CID 135246845

IUPAC5-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-pyridinyl]-2-ethylpyridine
SMILESCCc1ncc(Cl)cc1-c1cccnc1Cc1ccc(C(C)(F)F)nc1
InChIInChI=1S/C20H18ClF2N3/c1-3-17-16(10-14(21)12-25-17)15-5-4-8-24-18(15)9-13-6-7-19(26-11-13)20(2,22)23/h4-8,10-12H,3,9H2,1-2H3
InChIKeyKVQJFPJYJYVUEF-UHFFFAOYSA-N
MW373.83 g/mol
LogP5.46
Rot. Bonds5

About 5-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-pyridinyl]-2-ethylpyridine

5-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-pyridinyl]-2-ethylpyridine (PubChem CID 135246845) has the molecular formula C20H18ClF2N3 and a molecular weight of 373.83 g/mol. Its IUPAC name is 5-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-pyridinyl]-2-ethylpyridine.

Molecular Properties

Compound Name5-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-pyridinyl]-2-ethylpyridine
PubChem CID135246845
Molecular FormulaC20H18ClF2N3
Molecular Weight373.83 g/mol
Exact Mass373.12
IUPAC Name5-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-pyridinyl]-2-ethylpyridine
SMILESCCc1ncc(Cl)cc1-c1cccnc1Cc1ccc(C(C)(F)F)nc1
InChIInChI=1S/C20H18ClF2N3/c1-3-17-16(10-14(21)12-25-17)15-5-4-8-24-18(15)9-13-6-7-19(26-11-13)20(2,22)23/h4-8,10-12H,3,9H2,1-2H3
InChIKeyKVQJFPJYJYVUEF-UHFFFAOYSA-N
XLogP5.46
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.83
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-pyridinyl]-2-ethylpyridine?
The IUPAC name of 5-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-pyridinyl]-2-ethylpyridine (CID 135246845) is 5-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-pyridinyl]-2-ethylpyridine.
What is the SMILES notation for 5-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-pyridinyl]-2-ethylpyridine?
The canonical SMILES for 5-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-pyridinyl]-2-ethylpyridine is CCc1ncc(Cl)cc1-c1cccnc1Cc1ccc(C(C)(F)F)nc1.
What is the InChIKey of 5-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-pyridinyl]-2-ethylpyridine?
The InChIKey is KVQJFPJYJYVUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3/c1-3-17-16(10-14(21)12-25-17)15-5-4-8-24-18(15)9-13-6-7-19(26-11-13)20(2,22)23/h4-8,10-12H,3,9H2,1-2H3.
What are the key properties of 5-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-pyridinyl]-2-ethylpyridine?
5-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-pyridinyl]-2-ethylpyridine has a molecular weight of 373.83 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-3-pyridinyl]-2-ethylpyridine is sourced from PubChem (CID 135246845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).