1-(5-chloro-4-methoxy-2-pyridinyl)cyclopropan-1-amine

C9H11ClN2O — CID 84775059

IUPAC1-(5-chloro-4-methoxy-2-pyridinyl)cyclopropan-1-amine
SMILESCOc1cc(C2(N)CC2)ncc1Cl
InChIInChI=1S/C9H11ClN2O/c1-13-7-4-8(9(11)2-3-9)12-5-6(7)10/h4-5H,2-3,11H2,1H3
InChIKeyMIROZZVYVXDIEK-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.69
Rot. Bonds2

About 1-(5-chloro-4-methoxy-2-pyridinyl)cyclopropan-1-amine

1-(5-chloro-4-methoxy-2-pyridinyl)cyclopropan-1-amine (PubChem CID 84775059) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 1-(5-chloro-4-methoxy-2-pyridinyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-4-methoxy-2-pyridinyl)cyclopropan-1-amine
PubChem CID84775059
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name1-(5-chloro-4-methoxy-2-pyridinyl)cyclopropan-1-amine
SMILESCOc1cc(C2(N)CC2)ncc1Cl
InChIInChI=1S/C9H11ClN2O/c1-13-7-4-8(9(11)2-3-9)12-5-6(7)10/h4-5H,2-3,11H2,1H3
InChIKeyMIROZZVYVXDIEK-UHFFFAOYSA-N
XLogP1.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chloro-4-methoxy-2-pyridinyl)ethyl]cyclopropan-1-amine
CID 105484219
2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol
CID 84783043
1-(5-bromo-2-chloro-4-methoxyphenyl)cyclopropan-1-amine
CID 84811063
2-amino-1-(5-chloro-4-methoxy-2-pyridinyl)ethanol
CID 84671141
1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
CID 79700571
1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84800208
1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine
CID 117327759
4-(4-chloro-3-methoxyphenyl)oxan-4-amine
CID 79700577
1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine
CID 84782091
2-(1-aminocyclohexyl)-5-chloro-4-methoxyphenol
CID 117392379
2-(1-aminocyclopropyl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117335344
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine
CID 84790598

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methoxy-2-pyridinyl)cyclopropan-1-amine?
The IUPAC name of 1-(5-chloro-4-methoxy-2-pyridinyl)cyclopropan-1-amine (CID 84775059) is 1-(5-chloro-4-methoxy-2-pyridinyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-chloro-4-methoxy-2-pyridinyl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-chloro-4-methoxy-2-pyridinyl)cyclopropan-1-amine is COc1cc(C2(N)CC2)ncc1Cl.
What is the InChIKey of 1-(5-chloro-4-methoxy-2-pyridinyl)cyclopropan-1-amine?
The InChIKey is MIROZZVYVXDIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-13-7-4-8(9(11)2-3-9)12-5-6(7)10/h4-5H,2-3,11H2,1H3.
What are the key properties of 1-(5-chloro-4-methoxy-2-pyridinyl)cyclopropan-1-amine?
1-(5-chloro-4-methoxy-2-pyridinyl)cyclopropan-1-amine has a molecular weight of 198.65 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methoxy-2-pyridinyl)cyclopropan-1-amine is sourced from PubChem (CID 84775059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).