3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methylpyridine

C19H15ClF2N2O — CID 137499148

IUPAC3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methylpyridine
SMILESCc1c(Cl)cncc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1
InChIInChI=1S/C19H15ClF2N2O/c1-12-16(10-23-11-17(12)20)15-4-3-9-24-18(15)25-14-7-5-13(6-8-14)19(2,21)22/h3-11H,1-2H3
InChIKeyUXRSTCAKZQRHBB-UHFFFAOYSA-N
MW360.79 g/mol
LogP6.01
Rot. Bonds4

About 3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methylpyridine

3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methylpyridine (PubChem CID 137499148) has the molecular formula C19H15ClF2N2O and a molecular weight of 360.79 g/mol. Its IUPAC name is 3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methylpyridine.

Molecular Properties

Compound Name3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methylpyridine
PubChem CID137499148
Molecular FormulaC19H15ClF2N2O
Molecular Weight360.79 g/mol
Exact Mass360.08
IUPAC Name3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methylpyridine
SMILESCc1c(Cl)cncc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1
InChIInChI=1S/C19H15ClF2N2O/c1-12-16(10-23-11-17(12)20)15-4-3-9-24-18(15)25-14-7-5-13(6-8-14)19(2,21)22/h3-11H,1-2H3
InChIKeyUXRSTCAKZQRHBB-UHFFFAOYSA-N
XLogP6.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.79
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methylpyridine?
The IUPAC name of 3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methylpyridine (CID 137499148) is 3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methylpyridine.
What is the SMILES notation for 3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methylpyridine?
The canonical SMILES for 3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methylpyridine is Cc1c(Cl)cncc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1.
What is the InChIKey of 3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methylpyridine?
The InChIKey is UXRSTCAKZQRHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O/c1-12-16(10-23-11-17(12)20)15-4-3-9-24-18(15)25-14-7-5-13(6-8-14)19(2,21)22/h3-11H,1-2H3.
What are the key properties of 3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methylpyridine?
3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methylpyridine has a molecular weight of 360.79 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methylpyridine is sourced from PubChem (CID 137499148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).