6-chloro-4-[3-[4-(trifluoromethyl)phenoxy]propoxy]pyridine-2-carbonitrile

C16H12ClF3N2O2 — CID 171850843

IUPAC6-chloro-4-[3-[4-(trifluoromethyl)phenoxy]propoxy]pyridine-2-carbonitrile
SMILESN#Cc1cc(OCCCOc2ccc(C(F)(F)F)cc2)cc(Cl)n1
InChIInChI=1S/C16H12ClF3N2O2/c17-15-9-14(8-12(10-21)22-15)24-7-1-6-23-13-4-2-11(3-5-13)16(18,19)20/h2-5,8-9H,1,6-7H2
InChIKeyOWCFSLVRANGHQP-UHFFFAOYSA-N
MW356.73 g/mol
LogP4.47
Rot. Bonds6

About 6-chloro-4-[3-[4-(trifluoromethyl)phenoxy]propoxy]pyridine-2-carbonitrile

6-chloro-4-[3-[4-(trifluoromethyl)phenoxy]propoxy]pyridine-2-carbonitrile (PubChem CID 171850843) has the molecular formula C16H12ClF3N2O2 and a molecular weight of 356.73 g/mol. Its IUPAC name is 6-chloro-4-[3-[4-(trifluoromethyl)phenoxy]propoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-[3-[4-(trifluoromethyl)phenoxy]propoxy]pyridine-2-carbonitrile
PubChem CID171850843
Molecular FormulaC16H12ClF3N2O2
Molecular Weight356.73 g/mol
Exact Mass356.05
IUPAC Name6-chloro-4-[3-[4-(trifluoromethyl)phenoxy]propoxy]pyridine-2-carbonitrile
SMILESN#Cc1cc(OCCCOc2ccc(C(F)(F)F)cc2)cc(Cl)n1
InChIInChI=1S/C16H12ClF3N2O2/c17-15-9-14(8-12(10-21)22-15)24-7-1-6-23-13-4-2-11(3-5-13)16(18,19)20/h2-5,8-9H,1,6-7H2
InChIKeyOWCFSLVRANGHQP-UHFFFAOYSA-N
XLogP4.47
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.73
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-6-cyano-4-pyridinyl) hypofluorite
CID 175631106
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile
CID 171850919
1-(3-iodopropoxy)-4-(trifluoromethyl)benzene
CID 148798788
1-butoxy-4-(trifluoromethyl)benzene;ethane
CID 144593328
4-amino-6-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile
CID 171850900
4-(chloromethyl)-2-[3-[4-(trifluoromethyl)phenoxy]propyl]-1,3-thiazole
CID 43320155
N-[4-(3-chloropropoxy)phenyl]-4-(trifluoromethyl)aniline
CID 23393376
4-[3-[4-cyano-3-(trifluoromethyl)phenoxy]propoxy]-2-(trifluoromethyl)benzonitrile
CID 11546106
2-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetonitrile
CID 102715194
2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 83072753
2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine-4-carbonitrile
CID 83077019

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[3-[4-(trifluoromethyl)phenoxy]propoxy]pyridine-2-carbonitrile?
The IUPAC name of 6-chloro-4-[3-[4-(trifluoromethyl)phenoxy]propoxy]pyridine-2-carbonitrile (CID 171850843) is 6-chloro-4-[3-[4-(trifluoromethyl)phenoxy]propoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 6-chloro-4-[3-[4-(trifluoromethyl)phenoxy]propoxy]pyridine-2-carbonitrile?
The canonical SMILES for 6-chloro-4-[3-[4-(trifluoromethyl)phenoxy]propoxy]pyridine-2-carbonitrile is N#Cc1cc(OCCCOc2ccc(C(F)(F)F)cc2)cc(Cl)n1.
What is the InChIKey of 6-chloro-4-[3-[4-(trifluoromethyl)phenoxy]propoxy]pyridine-2-carbonitrile?
The InChIKey is OWCFSLVRANGHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O2/c17-15-9-14(8-12(10-21)22-15)24-7-1-6-23-13-4-2-11(3-5-13)16(18,19)20/h2-5,8-9H,1,6-7H2.
What are the key properties of 6-chloro-4-[3-[4-(trifluoromethyl)phenoxy]propoxy]pyridine-2-carbonitrile?
6-chloro-4-[3-[4-(trifluoromethyl)phenoxy]propoxy]pyridine-2-carbonitrile has a molecular weight of 356.73 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[3-[4-(trifluoromethyl)phenoxy]propoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 171850843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).