cis-(1R,3S)-3-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropan-1-amine

C10H13ClN2 — CID 178194797

IUPACcis-(1R,3S)-3-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)[C@H](N)[C@H]1c1cccc(Cl)n1
InChIInChI=1S/C10H13ClN2/c1-10(2)8(9(10)12)6-4-3-5-7(11)13-6/h3-5,8-9H,12H2,1-2H3/t8-,9-/m1/s1
InChIKeyQOWUDBNYZXBGOB-RKDXNWHRSA-N
MW196.68 g/mol
LogP2.19
Rot. Bonds1

About cis-(1R,3S)-3-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropan-1-amine

cis-(1R,3S)-3-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropan-1-amine (PubChem CID 178194797) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is cis-(1R,3S)-3-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropan-1-amine
PubChem CID178194797
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Namecis-(1R,3S)-3-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)[C@H](N)[C@H]1c1cccc(Cl)n1
InChIInChI=1S/C10H13ClN2/c1-10(2)8(9(10)12)6-4-3-5-7(11)13-6/h3-5,8-9H,12H2,1-2H3/t8-,9-/m1/s1
InChIKeyQOWUDBNYZXBGOB-RKDXNWHRSA-N
XLogP2.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of cis-(1R,3S)-3-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropan-1-amine (CID 178194797) is cis-(1R,3S)-3-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropan-1-amine is CC1(C)[C@H](N)[C@H]1c1cccc(Cl)n1.
What is the InChIKey of cis-(1R,3S)-3-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropan-1-amine?
The InChIKey is QOWUDBNYZXBGOB-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-10(2)8(9(10)12)6-4-3-5-7(11)13-6/h3-5,8-9H,12H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of cis-(1R,3S)-3-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropan-1-amine?
cis-(1R,3S)-3-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropan-1-amine has a molecular weight of 196.68 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 178194797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).