2-[6-(3-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine

C15H14ClFN2O — CID 66715399

IUPAC2-[6-(3-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
SMILESCOc1cc(-c2ccc(C3CC3N)cn2)cc(Cl)c1F
InChIInChI=1S/C15H14ClFN2O/c1-20-14-5-9(4-11(16)15(14)17)13-3-2-8(7-19-13)10-6-12(10)18/h2-5,7,10,12H,6,18H2,1H3
InChIKeyALPUODCNCYIBJR-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.36
Rot. Bonds3

About 2-[6-(3-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine

2-[6-(3-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine (PubChem CID 66715399) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-[6-(3-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-[6-(3-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
PubChem CID66715399
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name2-[6-(3-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
SMILESCOc1cc(-c2ccc(C3CC3N)cn2)cc(Cl)c1F
InChIInChI=1S/C15H14ClFN2O/c1-20-14-5-9(4-11(16)15(14)17)13-3-2-8(7-19-13)10-6-12(10)18/h2-5,7,10,12H,6,18H2,1H3
InChIKeyALPUODCNCYIBJR-UHFFFAOYSA-N
XLogP3.36
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2R)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
CID 56654365
trans-(1R,2S)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
CID 66714534
trans-(1S,2R)-2-[6-(3-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride
CID 162328920
trans-(1R,2S)-2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
CID 66714216
trans-(1S,2R)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropan-1-amine
CID 56652650
3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]-5-methoxybenzonitrile
CID 70163595
trans-(1S,2R)-2-[6-(3-isocyano-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride
CID 162331004
trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine
CID 138987328
3-[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]-4-methoxybenzonitrile
CID 56654705
2-[5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyridinyl]pyrimidine
CID 155780225
N-[3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-5-chlorophenyl]methanesulfonamide;hydrochloride
CID 66714686
3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-2,4,6-trifluorophenol
CID 87120840

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine?
The IUPAC name of 2-[6-(3-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine (CID 66715399) is 2-[6-(3-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine.
What is the SMILES notation for 2-[6-(3-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine?
The canonical SMILES for 2-[6-(3-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine is COc1cc(-c2ccc(C3CC3N)cn2)cc(Cl)c1F.
What is the InChIKey of 2-[6-(3-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine?
The InChIKey is ALPUODCNCYIBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-20-14-5-9(4-11(16)15(14)17)13-3-2-8(7-19-13)10-6-12(10)18/h2-5,7,10,12H,6,18H2,1H3.
What are the key properties of 2-[6-(3-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine?
2-[6-(3-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine has a molecular weight of 292.74 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine is sourced from PubChem (CID 66715399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).