2-chloro-5-(1,2,2,2-tetrafluoroethyl)pyridine

C7H4ClF4N — CID 139022718

IUPAC2-chloro-5-(1,2,2,2-tetrafluoroethyl)pyridine
SMILESFC(c1ccc(Cl)nc1)C(F)(F)F
InChIInChI=1S/C7H4ClF4N/c8-5-2-1-4(3-13-5)6(9)7(10,11)12/h1-3,6H
InChIKeyXBDZMWVIDFCQRC-UHFFFAOYSA-N
MW213.56 g/mol
LogP3.31
Rot. Bonds1

About 2-chloro-5-(1,2,2,2-tetrafluoroethyl)pyridine

2-chloro-5-(1,2,2,2-tetrafluoroethyl)pyridine (PubChem CID 139022718) has the molecular formula C7H4ClF4N and a molecular weight of 213.56 g/mol. Its IUPAC name is 2-chloro-5-(1,2,2,2-tetrafluoroethyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(1,2,2,2-tetrafluoroethyl)pyridine
PubChem CID139022718
Molecular FormulaC7H4ClF4N
Molecular Weight213.56 g/mol
Exact Mass213.00
IUPAC Name2-chloro-5-(1,2,2,2-tetrafluoroethyl)pyridine
SMILESFC(c1ccc(Cl)nc1)C(F)(F)F
InChIInChI=1S/C7H4ClF4N/c8-5-2-1-4(3-13-5)6(9)7(10,11)12/h1-3,6H
InChIKeyXBDZMWVIDFCQRC-UHFFFAOYSA-N
XLogP3.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.56
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 97290350
1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol
CID 131509867
[(1R)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethyl] trifluoromethanesulfonate
CID 86707400
(1R)-1-(6-chloro-3-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171198796
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine
CID 130606280
1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130041973
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218295
1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine
CID 131049185
2-chloro-5-pentan-3-ylpyridine
CID 134459618
2-chloro-5-(trifluoromethylsulfanyl)pyridine
CID 75406410
1-[6-[chloro(difluoro)methyl]-3-pyridinyl]ethanethiol
CID 88935375
(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
CID 55278839

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1,2,2,2-tetrafluoroethyl)pyridine?
The IUPAC name of 2-chloro-5-(1,2,2,2-tetrafluoroethyl)pyridine (CID 139022718) is 2-chloro-5-(1,2,2,2-tetrafluoroethyl)pyridine.
What is the SMILES notation for 2-chloro-5-(1,2,2,2-tetrafluoroethyl)pyridine?
The canonical SMILES for 2-chloro-5-(1,2,2,2-tetrafluoroethyl)pyridine is FC(c1ccc(Cl)nc1)C(F)(F)F.
What is the InChIKey of 2-chloro-5-(1,2,2,2-tetrafluoroethyl)pyridine?
The InChIKey is XBDZMWVIDFCQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF4N/c8-5-2-1-4(3-13-5)6(9)7(10,11)12/h1-3,6H.
What are the key properties of 2-chloro-5-(1,2,2,2-tetrafluoroethyl)pyridine?
2-chloro-5-(1,2,2,2-tetrafluoroethyl)pyridine has a molecular weight of 213.56 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,2,2,2-tetrafluoroethyl)pyridine is sourced from PubChem (CID 139022718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).