5-chloro-4-[5-chloro-1-[(1S)-1-(oxan-4-yl)ethyl]-2H-pyridin-6-yl]-2-fluoropyridine

C17H19Cl2FN2O — CID 141285755

IUPAC5-chloro-4-[5-chloro-1-[(1S)-1-(oxan-4-yl)ethyl]-2H-pyridin-6-yl]-2-fluoropyridine
SMILESC[C@@H](C1CCOCC1)N1CC=CC(Cl)=C1c1cc(F)ncc1Cl
InChIInChI=1S/C17H19Cl2FN2O/c1-11(12-4-7-23-8-5-12)22-6-2-3-14(18)17(22)13-9-16(20)21-10-15(13)19/h2-3,9-12H,4-8H2,1H3/t11-/m0/s1
InChIKeyNYSMUVQRDBJZPX-NSHDSACASA-N
MW357.26 g/mol
LogP4.47
Rot. Bonds3

About 5-chloro-4-[5-chloro-1-[(1S)-1-(oxan-4-yl)ethyl]-2H-pyridin-6-yl]-2-fluoropyridine

5-chloro-4-[5-chloro-1-[(1S)-1-(oxan-4-yl)ethyl]-2H-pyridin-6-yl]-2-fluoropyridine (PubChem CID 141285755) has the molecular formula C17H19Cl2FN2O and a molecular weight of 357.26 g/mol. Its IUPAC name is 5-chloro-4-[5-chloro-1-[(1S)-1-(oxan-4-yl)ethyl]-2H-pyridin-6-yl]-2-fluoropyridine.

Molecular Properties

Compound Name5-chloro-4-[5-chloro-1-[(1S)-1-(oxan-4-yl)ethyl]-2H-pyridin-6-yl]-2-fluoropyridine
PubChem CID141285755
Molecular FormulaC17H19Cl2FN2O
Molecular Weight357.26 g/mol
Exact Mass356.09
IUPAC Name5-chloro-4-[5-chloro-1-[(1S)-1-(oxan-4-yl)ethyl]-2H-pyridin-6-yl]-2-fluoropyridine
SMILESC[C@@H](C1CCOCC1)N1CC=CC(Cl)=C1c1cc(F)ncc1Cl
InChIInChI=1S/C17H19Cl2FN2O/c1-11(12-4-7-23-8-5-12)22-6-2-3-14(18)17(22)13-9-16(20)21-10-15(13)19/h2-3,9-12H,4-8H2,1H3/t11-/m0/s1
InChIKeyNYSMUVQRDBJZPX-NSHDSACASA-N
XLogP4.47
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-{1-[(3,5-Dichloro-4-pyridinyl)methyl]-4-piperidinyl}ethyl)morpholine
CID 70766602
N-[(3,5-dichloro-4-pyridinyl)methyl]-N-methoxy-1-(oxan-4-yl)methanamine
CID 136559144
3-(5-chloro-2-fluoropyridin-4-yl)-5-fluoro-N-((tetrahydro-2H-pyran-4-yl)methyl)aniline
CID 67033472
[3-(5-Chloro-2-fluoro-pyridin-4-yl)-phenyl]-(tetrahydro-pyran-4-ylmethyl)-carbamic acid tert-butyl ester
CID 67034552
6-(2-Amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine
CID 67043456
6-(2-Amino-3-chloro-4-pyridinyl)-5-chloro-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine
CID 68296820
6-(3-chloro-4-pyridinyl)-3,6-difluoro-N-[(4-methyloxan-4-yl)methyl]-1H-pyridin-2-amine
CID 68296864
2-chloro-5-(5-chloro-2-fluoro-4-pyridinyl)-N-(oxan-4-ylmethyl)aniline
CID 69671695
3-(5-chloro-2-fluoro-4-pyridinyl)-4-fluoro-N-(oxan-4-ylmethyl)aniline
CID 69674805
5',6-dichloro-2'-fluoro-N-((tetrahydro-2H-pyran-4-yl)methyl)-3,4'-bipyridin-5-amine
CID 86653904
2,5'-dichloro-2'-fluoro-N-((tetrahydro-2H-pyran-4-yl)methyl)-3,4'-bipyridin-5-amine
CID 86704052
CID 88919762
CID 88919762

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[5-chloro-1-[(1S)-1-(oxan-4-yl)ethyl]-2H-pyridin-6-yl]-2-fluoropyridine?
The IUPAC name of 5-chloro-4-[5-chloro-1-[(1S)-1-(oxan-4-yl)ethyl]-2H-pyridin-6-yl]-2-fluoropyridine (CID 141285755) is 5-chloro-4-[5-chloro-1-[(1S)-1-(oxan-4-yl)ethyl]-2H-pyridin-6-yl]-2-fluoropyridine.
What is the SMILES notation for 5-chloro-4-[5-chloro-1-[(1S)-1-(oxan-4-yl)ethyl]-2H-pyridin-6-yl]-2-fluoropyridine?
The canonical SMILES for 5-chloro-4-[5-chloro-1-[(1S)-1-(oxan-4-yl)ethyl]-2H-pyridin-6-yl]-2-fluoropyridine is C[C@@H](C1CCOCC1)N1CC=CC(Cl)=C1c1cc(F)ncc1Cl.
What is the InChIKey of 5-chloro-4-[5-chloro-1-[(1S)-1-(oxan-4-yl)ethyl]-2H-pyridin-6-yl]-2-fluoropyridine?
The InChIKey is NYSMUVQRDBJZPX-NSHDSACASA-N. The full InChI is InChI=1S/C17H19Cl2FN2O/c1-11(12-4-7-23-8-5-12)22-6-2-3-14(18)17(22)13-9-16(20)21-10-15(13)19/h2-3,9-12H,4-8H2,1H3/t11-/m0/s1.
What are the key properties of 5-chloro-4-[5-chloro-1-[(1S)-1-(oxan-4-yl)ethyl]-2H-pyridin-6-yl]-2-fluoropyridine?
5-chloro-4-[5-chloro-1-[(1S)-1-(oxan-4-yl)ethyl]-2H-pyridin-6-yl]-2-fluoropyridine has a molecular weight of 357.26 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[5-chloro-1-[(1S)-1-(oxan-4-yl)ethyl]-2H-pyridin-6-yl]-2-fluoropyridine is sourced from PubChem (CID 141285755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).