2-[5-(1-aminoethyl)-3-chloro-2-pyridinyl]propan-2-ol

C10H15ClN2O — CID 177140026

IUPAC2-[5-(1-aminoethyl)-3-chloro-2-pyridinyl]propan-2-ol
SMILESCC(N)c1cnc(C(C)(C)O)c(Cl)c1
InChIInChI=1S/C10H15ClN2O/c1-6(12)7-4-8(11)9(13-5-7)10(2,3)14/h4-6,14H,12H2,1-3H3
InChIKeyVGPNFSUYRVYGDI-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.98
Rot. Bonds2

About 2-[5-(1-aminoethyl)-3-chloro-2-pyridinyl]propan-2-ol

2-[5-(1-aminoethyl)-3-chloro-2-pyridinyl]propan-2-ol (PubChem CID 177140026) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 2-[5-(1-aminoethyl)-3-chloro-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(1-aminoethyl)-3-chloro-2-pyridinyl]propan-2-ol
PubChem CID177140026
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name2-[5-(1-aminoethyl)-3-chloro-2-pyridinyl]propan-2-ol
SMILESCC(N)c1cnc(C(C)(C)O)c(Cl)c1
InChIInChI=1S/C10H15ClN2O/c1-6(12)7-4-8(11)9(13-5-7)10(2,3)14/h4-6,14H,12H2,1-3H3
InChIKeyVGPNFSUYRVYGDI-UHFFFAOYSA-N
XLogP1.98
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-aminoethyl)-3-chloro-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-(1-aminoethyl)-3-chloro-2-pyridinyl]propan-2-ol (CID 177140026) is 2-[5-(1-aminoethyl)-3-chloro-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-(1-aminoethyl)-3-chloro-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-(1-aminoethyl)-3-chloro-2-pyridinyl]propan-2-ol is CC(N)c1cnc(C(C)(C)O)c(Cl)c1.
What is the InChIKey of 2-[5-(1-aminoethyl)-3-chloro-2-pyridinyl]propan-2-ol?
The InChIKey is VGPNFSUYRVYGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-6(12)7-4-8(11)9(13-5-7)10(2,3)14/h4-6,14H,12H2,1-3H3.
What are the key properties of 2-[5-(1-aminoethyl)-3-chloro-2-pyridinyl]propan-2-ol?
2-[5-(1-aminoethyl)-3-chloro-2-pyridinyl]propan-2-ol has a molecular weight of 214.70 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-aminoethyl)-3-chloro-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 177140026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).