2-chloro-5-ethanimidoylpyridin-4-amine

C7H8ClN3 — CID 144767803

IUPAC2-chloro-5-ethanimidoylpyridin-4-amine
SMILES[H]/N=C(\C)c1cnc(Cl)cc1N
InChIInChI=1S/C7H8ClN3/c1-4(9)5-3-11-7(8)2-6(5)10/h2-3,9H,1H3,(H2,10,11)/b9-4+
InChIKeyHXMJELVHZJSDIP-RUDMXATFSA-N
MW169.62 g/mol
LogP1.70
Rot. Bonds1

About 2-chloro-5-ethanimidoylpyridin-4-amine

2-chloro-5-ethanimidoylpyridin-4-amine (PubChem CID 144767803) has the molecular formula C7H8ClN3 and a molecular weight of 169.62 g/mol. Its IUPAC name is 2-chloro-5-ethanimidoylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-5-ethanimidoylpyridin-4-amine
PubChem CID144767803
Molecular FormulaC7H8ClN3
Molecular Weight169.62 g/mol
Exact Mass169.04
IUPAC Name2-chloro-5-ethanimidoylpyridin-4-amine
SMILES[H]/N=C(\C)c1cnc(Cl)cc1N
InChIInChI=1S/C7H8ClN3/c1-4(9)5-3-11-7(8)2-6(5)10/h2-3,9H,1H3,(H2,10,11)/b9-4+
InChIKeyHXMJELVHZJSDIP-RUDMXATFSA-N
XLogP1.70
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.62
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

butane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane
CID 144767802
6-bromo-4-ethanimidoylpyridin-3-amine
CID 143774873
1-(4,6-dimethyl-3-pyridinyl)ethanimine
CID 123920913
CID 164593281
CID 164593281
4-amino-6-chloropyridin-3-ol
CID 45079903
2-chloro-5-(2-ethyl-5-phenylpentanimidoyl)pyridin-4-amine
CID 167080790
2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol
CID 21073242
2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane
CID 145019698
2,5-dichloropyridin-4-amine;hydrochloride
CID 134128726
1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one
CID 118065331
4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-ethanimidoyl-5-methoxyaniline
CID 164565649
4-amino-6-chloro-N-cyclopropylpyridine-3-carboxamide
CID 156880832

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethanimidoylpyridin-4-amine?
The IUPAC name of 2-chloro-5-ethanimidoylpyridin-4-amine (CID 144767803) is 2-chloro-5-ethanimidoylpyridin-4-amine.
What is the SMILES notation for 2-chloro-5-ethanimidoylpyridin-4-amine?
The canonical SMILES for 2-chloro-5-ethanimidoylpyridin-4-amine is [H]/N=C(\C)c1cnc(Cl)cc1N.
What is the InChIKey of 2-chloro-5-ethanimidoylpyridin-4-amine?
The InChIKey is HXMJELVHZJSDIP-RUDMXATFSA-N. The full InChI is InChI=1S/C7H8ClN3/c1-4(9)5-3-11-7(8)2-6(5)10/h2-3,9H,1H3,(H2,10,11)/b9-4+.
What are the key properties of 2-chloro-5-ethanimidoylpyridin-4-amine?
2-chloro-5-ethanimidoylpyridin-4-amine has a molecular weight of 169.62 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethanimidoylpyridin-4-amine is sourced from PubChem (CID 144767803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).