5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine

C19H10ClF6N — CID 134617505

IUPAC5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cccc(-c2cc(Cl)cnc2-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H10ClF6N/c20-15-9-16(11-3-1-5-13(7-11)18(21,22)23)17(27-10-15)12-4-2-6-14(8-12)19(24,25)26/h1-10H
InChIKeyPXQWVRPLUXPNEW-UHFFFAOYSA-N
MW401.74 g/mol
LogP7.11
Rot. Bonds2

About 5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine

5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 134617505) has the molecular formula C19H10ClF6N and a molecular weight of 401.74 g/mol. Its IUPAC name is 5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine
PubChem CID134617505
Molecular FormulaC19H10ClF6N
Molecular Weight401.74 g/mol
Exact Mass401.04
IUPAC Name5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cccc(-c2cc(Cl)cnc2-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H10ClF6N/c20-15-9-16(11-3-1-5-13(7-11)18(21,22)23)17(27-10-15)12-4-2-6-14(8-12)19(24,25)26/h1-10H
InChIKeyPXQWVRPLUXPNEW-UHFFFAOYSA-N
XLogP7.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.74
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 118992050
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133092048
3,5-dichloro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 134623607
6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091792
2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine
CID 119007781
5-chloro-2-[3-(trifluoromethyl)phenyl]aniline
CID 79018103
4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde
CID 79018280
2-[3,5-dichloro-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623609
5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
CID 117127400
2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089697
2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 53218025
2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
CID 133089606

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine (CID 134617505) is 5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1cccc(-c2cc(Cl)cnc2-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is PXQWVRPLUXPNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF6N/c20-15-9-16(11-3-1-5-13(7-11)18(21,22)23)17(27-10-15)12-4-2-6-14(8-12)19(24,25)26/h1-10H.
What are the key properties of 5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine?
5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 401.74 g/mol, XLogP of 7.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-bis[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 134617505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).