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

C15H16ClF2N3 — CID 166547087

IUPAC6-chloro-1-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine
SMILESCC(C)c1cnc(N2C[C@@H](F)[C@H](F)C2)c2cnc(Cl)cc12
InChIInChI=1S/C15H16ClF2N3/c1-8(2)10-4-20-15(21-6-12(17)13(18)7-21)11-5-19-14(16)3-9(10)11/h3-5,8,12-13H,6-7H2,1-2H3/t12-,13-/m1/s1
InChIKeyDPMABNBCMMPBGU-CHWSQXEVSA-N
MW311.76 g/mol
LogP3.90
Rot. Bonds2

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

6-chloro-1-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine (PubChem CID 166547087) has the molecular formula C15H16ClF2N3 and a molecular weight of 311.76 g/mol. Its IUPAC name is 6-chloro-1-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine.

Molecular Properties

Compound Name6-chloro-1-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine
PubChem CID166547087
Molecular FormulaC15H16ClF2N3
Molecular Weight311.76 g/mol
Exact Mass311.10
IUPAC Name6-chloro-1-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine
SMILESCC(C)c1cnc(N2C[C@@H](F)[C@H](F)C2)c2cnc(Cl)cc12
InChIInChI=1S/C15H16ClF2N3/c1-8(2)10-4-20-15(21-6-12(17)13(18)7-21)11-5-19-14(16)3-9(10)11/h3-5,8,12-13H,6-7H2,1-2H3/t12-,13-/m1/s1
InChIKeyDPMABNBCMMPBGU-CHWSQXEVSA-N
XLogP3.90
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 ≤ 53.90
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-Chloropyrido[2,3-d]pyrimidine
CID 569039
3-chloro-2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)pyridine
CID 671586
2-Chloro-1,8-naphthyridine
CID 5152838
3-Chloro-1,8-naphthyridine
CID 11686962
4-Chloro-1,8-naphthyridine
CID 12422524
2,4-Dichloro-1,8-naphthyridine
CID 18449302
3-Chloro-2-(4-pyrrol-1-ylpiperidin-1-yl)-5-(trifluoromethyl)pyridine
CID 2822466
5-Chloro-2-{3-[1-(3-pyridinylmethyl)-4-piperidinyl]-1-pyrrolidinyl}pyridine
CID 45236980
3-Chloro-2-{3-[1-(3-pyridinylmethyl)-4-piperidinyl]-1-pyrrolidinyl}pyridine
CID 45242977
5-Chloro-2-pyrrolidin-1-ylpyrido[4,3-d]pyrimidine
CID 45106185
1-Amino-3-chloro-2,7-naphthyridine
CID 133188466
6-Chloro-1,4-dimethyl-1H-pyrrolo[2,3-b]pyridine
CID 135062936

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine?
The IUPAC name of 6-chloro-1-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine (CID 166547087) is 6-chloro-1-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine.
What is the SMILES notation for 6-chloro-1-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine?
The canonical SMILES for 6-chloro-1-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine is CC(C)c1cnc(N2C[C@@H](F)[C@H](F)C2)c2cnc(Cl)cc12.
What is the InChIKey of 6-chloro-1-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine?
The InChIKey is DPMABNBCMMPBGU-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H16ClF2N3/c1-8(2)10-4-20-15(21-6-12(17)13(18)7-21)11-5-19-14(16)3-9(10)11/h3-5,8,12-13H,6-7H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of 6-chloro-1-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine?
6-chloro-1-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine has a molecular weight of 311.76 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(3R,4R)-3,4-difluoropyrrolidin-1-yl]-4-propan-2-yl-2,7-naphthyridine is sourced from PubChem (CID 166547087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).