3-chloro-2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine

C10H5ClF9NO — CID 167152496

IUPAC3-chloro-2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)COc1ncccc1Cl
InChIInChI=1S/C10H5ClF9NO/c11-5-2-1-3-21-6(5)22-4-7(12,13)8(14,15)9(16,17)10(18,19)20/h1-3H,4H2
InChIKeyBRKIEYWSJKJEBL-UHFFFAOYSA-N
MW361.59 g/mol
LogP4.58
Rot. Bonds5

About 3-chloro-2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine

3-chloro-2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine (PubChem CID 167152496) has the molecular formula C10H5ClF9NO and a molecular weight of 361.59 g/mol. Its IUPAC name is 3-chloro-2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine.

Molecular Properties

Compound Name3-chloro-2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine
PubChem CID167152496
Molecular FormulaC10H5ClF9NO
Molecular Weight361.59 g/mol
Exact Mass360.99
IUPAC Name3-chloro-2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)COc1ncccc1Cl
InChIInChI=1S/C10H5ClF9NO/c11-5-2-1-3-21-6(5)22-4-7(12,13)8(14,15)9(16,17)10(18,19)20/h1-3H,4H2
InChIKeyBRKIEYWSJKJEBL-UHFFFAOYSA-N
XLogP4.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.59
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine-3-carbonitrile
CID 167152493
3-chloro-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine
CID 167152492
1-[(3-chloro-2-pyridinyl)oxy]-2-methylbutan-2-amine;hydrochloride
CID 71756745
5-chloro-6-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)-N-pyridazin-1-ium-1-ylpyridine-3-carboximidate
CID 167612212
3-propan-2-yloxy-2-(2,2,2-trifluoroethoxy)pyridine
CID 164741273
3-chloro-4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)benzoic acid
CID 54355557
2-(4-pyridin-2-ylphenyl)-4,6-bis(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-1,3,5-triazine
CID 176747311
bis(3-chloro-2-pyridinyl) propanedioate
CID 69083398
5-(2,2,3,3,4,4,4-heptafluorobutoxy)-1H-pyrazole
CID 141346603
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291000
3-chloro-2-(2,2-difluoropropoxy)pyridine;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-4-carboxamide
CID 161054052
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine
CID 115876782

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine?
The IUPAC name of 3-chloro-2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine (CID 167152496) is 3-chloro-2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine.
What is the SMILES notation for 3-chloro-2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine?
The canonical SMILES for 3-chloro-2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)COc1ncccc1Cl.
What is the InChIKey of 3-chloro-2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine?
The InChIKey is BRKIEYWSJKJEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF9NO/c11-5-2-1-3-21-6(5)22-4-7(12,13)8(14,15)9(16,17)10(18,19)20/h1-3H,4H2.
What are the key properties of 3-chloro-2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine?
3-chloro-2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine has a molecular weight of 361.59 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2,2,3,3,4,4,5,5,5-nonafluoropentoxy)pyridine is sourced from PubChem (CID 167152496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).