2-chloro-6-ethynylpyridin-4-amine

C7H5ClN2 — CID 74891481

IUPAC2-chloro-6-ethynylpyridin-4-amine
SMILESC#Cc1cc(N)cc(Cl)n1
InChIInChI=1S/C7H5ClN2/c1-2-6-3-5(9)4-7(8)10-6/h1,3-4H,(H2,9,10)
InChIKeyIEYJZXOKBKDFSN-UHFFFAOYSA-N
MW152.58 g/mol
LogP1.30
Rot. Bonds

About 2-chloro-6-ethynylpyridin-4-amine

2-chloro-6-ethynylpyridin-4-amine (PubChem CID 74891481) has the molecular formula C7H5ClN2 and a molecular weight of 152.58 g/mol. Its IUPAC name is 2-chloro-6-ethynylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethynylpyridin-4-amine
PubChem CID74891481
Molecular FormulaC7H5ClN2
Molecular Weight152.58 g/mol
Exact Mass152.01
IUPAC Name2-chloro-6-ethynylpyridin-4-amine
SMILESC#Cc1cc(N)cc(Cl)n1
InChIInChI=1S/C7H5ClN2/c1-2-6-3-5(9)4-7(8)10-6/h1,3-4H,(H2,9,10)
InChIKeyIEYJZXOKBKDFSN-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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Related Compounds

6-Chloro-2-picoline
CID 87601
4-Amino-2,6-dimethylpyridine
CID 77047
4-Amino-2,6-dichloropyridine
CID 137652
2,4-Dichloro-6-methylpyridine
CID 11959083
4-Chloro-2,6-dimethylpyridine
CID 588175
3-Amino-2-chloro-6-picoline
CID 2734415
2,6-Dichloro-4-hydrazinylpyridine
CID 2786973
2,6-Dichloro-4-isocyanatopyridine
CID 2781658
3-Amino-6-chloro-2-picoline
CID 7009500
(6-Chloropyridin-2-yl)methanamine
CID 10313191
2,6-Dichloropyridine-3,4-diamine
CID 10931987
4-Pyridinamine, 2,6-dichloro-N,N-dimethyl-
CID 12175136

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethynylpyridin-4-amine?
The IUPAC name of 2-chloro-6-ethynylpyridin-4-amine (CID 74891481) is 2-chloro-6-ethynylpyridin-4-amine.
What is the SMILES notation for 2-chloro-6-ethynylpyridin-4-amine?
The canonical SMILES for 2-chloro-6-ethynylpyridin-4-amine is C#Cc1cc(N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethynylpyridin-4-amine?
The InChIKey is IEYJZXOKBKDFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2/c1-2-6-3-5(9)4-7(8)10-6/h1,3-4H,(H2,9,10).
What are the key properties of 2-chloro-6-ethynylpyridin-4-amine?
2-chloro-6-ethynylpyridin-4-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 2-chloro-6-ethynylpyridin-4-amine is sourced from PubChem (CID 74891481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).