4-[[(3R)-1-(3-bromo-5-chloro-2-pyridinyl)pyrrolidin-3-yl]methyl]morpholine

C14H19BrClN3O — CID 99789373

IUPAC4-[[(3R)-1-(3-bromo-5-chloro-2-pyridinyl)pyrrolidin-3-yl]methyl]morpholine
SMILESClc1cnc(N2CC[C@H](CN3CCOCC3)C2)c(Br)c1
InChIInChI=1S/C14H19BrClN3O/c15-13-7-12(16)8-17-14(13)19-2-1-11(10-19)9-18-3-5-20-6-4-18/h7-8,11H,1-6,9-10H2/t11-/m1/s1
InChIKeyZGCVZSYSXITLAD-LLVKDONJSA-N
MW360.68 g/mol
LogP2.66
Rot. Bonds3

About 4-[[(3R)-1-(3-bromo-5-chloro-2-pyridinyl)pyrrolidin-3-yl]methyl]morpholine

4-[[(3R)-1-(3-bromo-5-chloro-2-pyridinyl)pyrrolidin-3-yl]methyl]morpholine (PubChem CID 99789373) has the molecular formula C14H19BrClN3O and a molecular weight of 360.68 g/mol. Its IUPAC name is 4-[[(3R)-1-(3-bromo-5-chloro-2-pyridinyl)pyrrolidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(3R)-1-(3-bromo-5-chloro-2-pyridinyl)pyrrolidin-3-yl]methyl]morpholine
PubChem CID99789373
Molecular FormulaC14H19BrClN3O
Molecular Weight360.68 g/mol
Exact Mass359.04
IUPAC Name4-[[(3R)-1-(3-bromo-5-chloro-2-pyridinyl)pyrrolidin-3-yl]methyl]morpholine
SMILESClc1cnc(N2CC[C@H](CN3CCOCC3)C2)c(Br)c1
InChIInChI=1S/C14H19BrClN3O/c15-13-7-12(16)8-17-14(13)19-2-1-11(10-19)9-18-3-5-20-6-4-18/h7-8,11H,1-6,9-10H2/t11-/m1/s1
InChIKeyZGCVZSYSXITLAD-LLVKDONJSA-N
XLogP2.66
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-chloro-2-[3-(2-chloroethyl)pyrrolidin-1-yl]pyridine
CID 114838653
2-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 114836313
4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine
CID 126856400
1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine
CID 114836322
4-[[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 135091123
1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine
CID 114836366
N-[[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 114838293
4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine
CID 87015234
3-bromo-2-[3-(2-chloroethyl)pyrrolidin-1-yl]-5-methylpyridine
CID 105368810
4-[[(3S)-1-(4-bromo-2-pyridinyl)piperidin-3-yl]methyl]morpholine
CID 99855918
2-chloro-4-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]benzonitrile
CID 71996072
2-(3-bromo-5-chloro-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 114836392

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-(3-bromo-5-chloro-2-pyridinyl)pyrrolidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[(3R)-1-(3-bromo-5-chloro-2-pyridinyl)pyrrolidin-3-yl]methyl]morpholine (CID 99789373) is 4-[[(3R)-1-(3-bromo-5-chloro-2-pyridinyl)pyrrolidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(3R)-1-(3-bromo-5-chloro-2-pyridinyl)pyrrolidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[(3R)-1-(3-bromo-5-chloro-2-pyridinyl)pyrrolidin-3-yl]methyl]morpholine is Clc1cnc(N2CC[C@H](CN3CCOCC3)C2)c(Br)c1.
What is the InChIKey of 4-[[(3R)-1-(3-bromo-5-chloro-2-pyridinyl)pyrrolidin-3-yl]methyl]morpholine?
The InChIKey is ZGCVZSYSXITLAD-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19BrClN3O/c15-13-7-12(16)8-17-14(13)19-2-1-11(10-19)9-18-3-5-20-6-4-18/h7-8,11H,1-6,9-10H2/t11-/m1/s1.
What are the key properties of 4-[[(3R)-1-(3-bromo-5-chloro-2-pyridinyl)pyrrolidin-3-yl]methyl]morpholine?
4-[[(3R)-1-(3-bromo-5-chloro-2-pyridinyl)pyrrolidin-3-yl]methyl]morpholine has a molecular weight of 360.68 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1-(3-bromo-5-chloro-2-pyridinyl)pyrrolidin-3-yl]methyl]morpholine is sourced from PubChem (CID 99789373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).