3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine

C8H10ClN3 — CID 130955912

IUPAC3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine
SMILESC=C[C@H](N)c1cc(Cl)cnc1N
InChIInChI=1S/C8H10ClN3/c1-2-7(10)6-3-5(9)4-12-8(6)11/h2-4,7H,1,10H2,(H2,11,12)/t7-/m0/s1
InChIKeySGYBARJKMQHBGS-ZETCQYMHSA-N
MW183.64 g/mol
LogP1.50
Rot. Bonds2

About 3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine

3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine (PubChem CID 130955912) has the molecular formula C8H10ClN3 and a molecular weight of 183.64 g/mol. Its IUPAC name is 3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine.

Molecular Properties

Compound Name3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine
PubChem CID130955912
Molecular FormulaC8H10ClN3
Molecular Weight183.64 g/mol
Exact Mass183.06
IUPAC Name3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine
SMILESC=C[C@H](N)c1cc(Cl)cnc1N
InChIInChI=1S/C8H10ClN3/c1-2-7(10)6-3-5(9)4-12-8(6)11/h2-4,7H,1,10H2,(H2,11,12)/t7-/m0/s1
InChIKeySGYBARJKMQHBGS-ZETCQYMHSA-N
XLogP1.50
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine?
The IUPAC name of 3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine (CID 130955912) is 3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine.
What is the SMILES notation for 3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine?
The canonical SMILES for 3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine is C=C[C@H](N)c1cc(Cl)cnc1N.
What is the InChIKey of 3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine?
The InChIKey is SGYBARJKMQHBGS-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10ClN3/c1-2-7(10)6-3-5(9)4-12-8(6)11/h2-4,7H,1,10H2,(H2,11,12)/t7-/m0/s1.
What are the key properties of 3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine?
3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine has a molecular weight of 183.64 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine is sourced from PubChem (CID 130955912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).