N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine

C14H13ClFN3O — CID 105391527

IUPACN-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
SMILESFc1c(CNC2CC2)ccnc1Oc1cncc(Cl)c1
InChIInChI=1S/C14H13ClFN3O/c15-10-5-12(8-17-7-10)20-14-13(16)9(3-4-18-14)6-19-11-1-2-11/h3-5,7-8,11,19H,1-2,6H2
InChIKeyUMKMULOTOCVPTP-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.31
Rot. Bonds5

About N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine

N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105391527) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105391527
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC NameN-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
SMILESFc1c(CNC2CC2)ccnc1Oc1cncc(Cl)c1
InChIInChI=1S/C14H13ClFN3O/c15-10-5-12(8-17-7-10)20-14-13(16)9(3-4-18-14)6-19-11-1-2-11/h3-5,7-8,11,19H,1-2,6H2
InChIKeyUMKMULOTOCVPTP-UHFFFAOYSA-N
XLogP3.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391381
N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391526
N-[[3-fluoro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105391271
N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 114857447
N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 64600037
N-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 114857443
N-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391070
N-[[3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 105391780
N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 106533490
N-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 102985597
N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 64601004
N-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105391467

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine (CID 105391527) is N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine is Fc1c(CNC2CC2)ccnc1Oc1cncc(Cl)c1.
What is the InChIKey of N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is UMKMULOTOCVPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c15-10-5-12(8-17-7-10)20-14-13(16)9(3-4-18-14)6-19-11-1-2-11/h3-5,7-8,11,19H,1-2,6H2.
What are the key properties of N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 293.73 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105391527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).