6-chloro-1-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2,7-naphthyridine

C15H16ClF2N3 — CID 166546892

IUPAC6-chloro-1-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2,7-naphthyridine
SMILESCC(C)c1cnc(N2CCC(F)(F)C2)c2cnc(Cl)cc12
InChIInChI=1S/C15H16ClF2N3/c1-9(2)11-6-20-14(21-4-3-15(17,18)8-21)12-7-19-13(16)5-10(11)12/h5-7,9H,3-4,8H2,1-2H3
InChIKeyWJOHGAUWGQZYHZ-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.25
Rot. Bonds2

About 6-chloro-1-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2,7-naphthyridine

6-chloro-1-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2,7-naphthyridine (PubChem CID 166546892) has the molecular formula C15H16ClF2N3 and a molecular weight of 311.76 g/mol. Its IUPAC name is 6-chloro-1-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2,7-naphthyridine.

Molecular Properties

Compound Name6-chloro-1-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2,7-naphthyridine
PubChem CID166546892
Molecular FormulaC15H16ClF2N3
Molecular Weight311.76 g/mol
Exact Mass311.10
IUPAC Name6-chloro-1-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2,7-naphthyridine
SMILESCC(C)c1cnc(N2CCC(F)(F)C2)c2cnc(Cl)cc12
InChIInChI=1S/C15H16ClF2N3/c1-9(2)11-6-20-14(21-4-3-15(17,18)8-21)12-7-19-13(16)5-10(11)12/h5-7,9H,3-4,8H2,1-2H3
InChIKeyWJOHGAUWGQZYHZ-UHFFFAOYSA-N
XLogP4.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 54.25
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2,7-naphthyridine?
The IUPAC name of 6-chloro-1-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2,7-naphthyridine (CID 166546892) is 6-chloro-1-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2,7-naphthyridine.
What is the SMILES notation for 6-chloro-1-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2,7-naphthyridine?
The canonical SMILES for 6-chloro-1-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2,7-naphthyridine is CC(C)c1cnc(N2CCC(F)(F)C2)c2cnc(Cl)cc12.
What is the InChIKey of 6-chloro-1-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2,7-naphthyridine?
The InChIKey is WJOHGAUWGQZYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3/c1-9(2)11-6-20-14(21-4-3-15(17,18)8-21)12-7-19-13(16)5-10(11)12/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 6-chloro-1-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2,7-naphthyridine?
6-chloro-1-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2,7-naphthyridine has a molecular weight of 311.76 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(3,3-difluoropyrrolidin-1-yl)-4-propan-2-yl-2,7-naphthyridine is sourced from PubChem (CID 166546892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).