5-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine

C10H13ClN2O — CID 29266983

IUPAC5-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
SMILESClc1ccc(NC[C@@H]2CCCO2)nc1
InChIInChI=1S/C10H13ClN2O/c11-8-3-4-10(12-6-8)13-7-9-2-1-5-14-9/h3-4,6,9H,1-2,5,7H2,(H,12,13)/t9-/m0/s1
InChIKeyJTFQIRXAVXRJIS-VIFPVBQESA-N
MW212.68 g/mol
LogP2.33
Rot. Bonds3

About 5-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine

5-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine (PubChem CID 29266983) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 5-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
PubChem CID29266983
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name5-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
SMILESClc1ccc(NC[C@@H]2CCCO2)nc1
InChIInChI=1S/C10H13ClN2O/c11-8-3-4-10(12-6-8)13-7-9-2-1-5-14-9/h3-4,6,9H,1-2,5,7H2,(H,12,13)/t9-/m0/s1
InChIKeyJTFQIRXAVXRJIS-VIFPVBQESA-N
XLogP2.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine (CID 29266983) is 5-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine is Clc1ccc(NC[C@@H]2CCCO2)nc1.
What is the InChIKey of 5-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine?
The InChIKey is JTFQIRXAVXRJIS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-8-3-4-10(12-6-8)13-7-9-2-1-5-14-9/h3-4,6,9H,1-2,5,7H2,(H,12,13)/t9-/m0/s1.
What are the key properties of 5-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine?
5-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine has a molecular weight of 212.68 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 29266983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).