(3S)-3-chloro-3,5-difluoro-2H-pyridine

C5H4ClF2N — CID 97114945

IUPAC(3S)-3-chloro-3,5-difluoro-2H-pyridine
SMILESFC1=C[C@](F)(Cl)CN=C1
InChIInChI=1S/C5H4ClF2N/c6-5(8)1-4(7)2-9-3-5/h1-2H,3H2/t5-/m1/s1
InChIKeyUPBXKDQPRDCHMR-RXMQYKEDSA-N
MW151.54 g/mol
LogP1.83
Rot. Bonds

About (3S)-3-chloro-3,5-difluoro-2H-pyridine

(3S)-3-chloro-3,5-difluoro-2H-pyridine (PubChem CID 97114945) has the molecular formula C5H4ClF2N and a molecular weight of 151.54 g/mol. Its IUPAC name is (3S)-3-chloro-3,5-difluoro-2H-pyridine.

Molecular Properties

Compound Name(3S)-3-chloro-3,5-difluoro-2H-pyridine
PubChem CID97114945
Molecular FormulaC5H4ClF2N
Molecular Weight151.54 g/mol
Exact Mass151.00
IUPAC Name(3S)-3-chloro-3,5-difluoro-2H-pyridine
SMILESFC1=C[C@](F)(Cl)CN=C1
InChIInChI=1S/C5H4ClF2N/c6-5(8)1-4(7)2-9-3-5/h1-2H,3H2/t5-/m1/s1
InChIKeyUPBXKDQPRDCHMR-RXMQYKEDSA-N
XLogP1.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.54
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-5-(trifluoromethyl)-2H-pyridine
CID 19778882
5-chloro-2,5-difluoro-2H-pyridine
CID 69910111
3-Chloro-5-(trifluoromethyl)-2,3-dihydropyridine
CID 70234962
3,3-Difluoropyridine hydrochloride
CID 90015073
5-Fluoro-2,3-dihydropyridine
CID 90926903
6-Chloro-4-fluoro-2,3-dihydropyridine
CID 126592534
2-chloro-6-fluoro-4H-azepine
CID 129157598
3-chloro-3-(trifluoromethyl)-2H-pyridine
CID 139712770
3-chloro-3-fluoro-4-iodo-2H-pyridine
CID 156782649
2-Chloro-4-fluoro-2,3-dihydropyridine
CID 163517981
2,5-Difluoro-2,3-dihydropyridine
CID 167066134
5-chloro-5-fluoro-2H-pyridine
CID 173779893

Frequently Asked Questions

What is the IUPAC name of (3S)-3-chloro-3,5-difluoro-2H-pyridine?
The IUPAC name of (3S)-3-chloro-3,5-difluoro-2H-pyridine (CID 97114945) is (3S)-3-chloro-3,5-difluoro-2H-pyridine.
What is the SMILES notation for (3S)-3-chloro-3,5-difluoro-2H-pyridine?
The canonical SMILES for (3S)-3-chloro-3,5-difluoro-2H-pyridine is FC1=C[C@](F)(Cl)CN=C1.
What is the InChIKey of (3S)-3-chloro-3,5-difluoro-2H-pyridine?
The InChIKey is UPBXKDQPRDCHMR-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H4ClF2N/c6-5(8)1-4(7)2-9-3-5/h1-2H,3H2/t5-/m1/s1.
What are the key properties of (3S)-3-chloro-3,5-difluoro-2H-pyridine?
(3S)-3-chloro-3,5-difluoro-2H-pyridine has a molecular weight of 151.54 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-chloro-3,5-difluoro-2H-pyridine is sourced from PubChem (CID 97114945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).