6-chloro-3-ethynylpyridin-2-amine

C7H5ClN2 — CID 74891477

IUPAC6-chloro-3-ethynylpyridin-2-amine
SMILESC#Cc1ccc(Cl)nc1N
InChIInChI=1S/C7H5ClN2/c1-2-5-3-4-6(8)10-7(5)9/h1,3-4H,(H2,9,10)
InChIKeyXGBSJSFCYMEGRM-UHFFFAOYSA-N
MW152.58 g/mol
LogP1.30
Rot. Bonds

About 6-chloro-3-ethynylpyridin-2-amine

6-chloro-3-ethynylpyridin-2-amine (PubChem CID 74891477) has the molecular formula C7H5ClN2 and a molecular weight of 152.58 g/mol. Its IUPAC name is 6-chloro-3-ethynylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-ethynylpyridin-2-amine
PubChem CID74891477
Molecular FormulaC7H5ClN2
Molecular Weight152.58 g/mol
Exact Mass152.01
IUPAC Name6-chloro-3-ethynylpyridin-2-amine
SMILESC#Cc1ccc(Cl)nc1N
InChIInChI=1S/C7H5ClN2/c1-2-5-3-4-6(8)10-7(5)9/h1,3-4H,(H2,9,10)
InChIKeyXGBSJSFCYMEGRM-UHFFFAOYSA-N
XLogP1.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethynylpyridin-2-amine?
The IUPAC name of 6-chloro-3-ethynylpyridin-2-amine (CID 74891477) is 6-chloro-3-ethynylpyridin-2-amine.
What is the SMILES notation for 6-chloro-3-ethynylpyridin-2-amine?
The canonical SMILES for 6-chloro-3-ethynylpyridin-2-amine is C#Cc1ccc(Cl)nc1N.
What is the InChIKey of 6-chloro-3-ethynylpyridin-2-amine?
The InChIKey is XGBSJSFCYMEGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2/c1-2-5-3-4-6(8)10-7(5)9/h1,3-4H,(H2,9,10).
What are the key properties of 6-chloro-3-ethynylpyridin-2-amine?
6-chloro-3-ethynylpyridin-2-amine has a molecular weight of 152.58 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethynylpyridin-2-amine is sourced from PubChem (CID 74891477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).