1-[3-chloro-5-(methylamino)-2-pyridinyl]cyclobutan-1-ol

C10H13ClN2O — CID 156563212

IUPAC1-[3-chloro-5-(methylamino)-2-pyridinyl]cyclobutan-1-ol
SMILESCNc1cnc(C2(O)CCC2)c(Cl)c1
InChIInChI=1S/C10H13ClN2O/c1-12-7-5-8(11)9(13-6-7)10(14)3-2-4-10/h5-6,12,14H,2-4H2,1H3
InChIKeyINARKDCNVRPLCN-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.15
Rot. Bonds2

About 1-[3-chloro-5-(methylamino)-2-pyridinyl]cyclobutan-1-ol

1-[3-chloro-5-(methylamino)-2-pyridinyl]cyclobutan-1-ol (PubChem CID 156563212) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-[3-chloro-5-(methylamino)-2-pyridinyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[3-chloro-5-(methylamino)-2-pyridinyl]cyclobutan-1-ol
PubChem CID156563212
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name1-[3-chloro-5-(methylamino)-2-pyridinyl]cyclobutan-1-ol
SMILESCNc1cnc(C2(O)CCC2)c(Cl)c1
InChIInChI=1S/C10H13ClN2O/c1-12-7-5-8(11)9(13-6-7)10(14)3-2-4-10/h5-6,12,14H,2-4H2,1H3
InChIKeyINARKDCNVRPLCN-UHFFFAOYSA-N
XLogP2.15
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(methylamino)-2-pyridinyl]cyclobutan-1-ol?
The IUPAC name of 1-[3-chloro-5-(methylamino)-2-pyridinyl]cyclobutan-1-ol (CID 156563212) is 1-[3-chloro-5-(methylamino)-2-pyridinyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[3-chloro-5-(methylamino)-2-pyridinyl]cyclobutan-1-ol?
The canonical SMILES for 1-[3-chloro-5-(methylamino)-2-pyridinyl]cyclobutan-1-ol is CNc1cnc(C2(O)CCC2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-5-(methylamino)-2-pyridinyl]cyclobutan-1-ol?
The InChIKey is INARKDCNVRPLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-12-7-5-8(11)9(13-6-7)10(14)3-2-4-10/h5-6,12,14H,2-4H2,1H3.
What are the key properties of 1-[3-chloro-5-(methylamino)-2-pyridinyl]cyclobutan-1-ol?
1-[3-chloro-5-(methylamino)-2-pyridinyl]cyclobutan-1-ol has a molecular weight of 212.68 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(methylamino)-2-pyridinyl]cyclobutan-1-ol is sourced from PubChem (CID 156563212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).