2-chloro-3-fluoropyridin-4-amine;hydrochloride

C5H5Cl2FN2 — CID 122236474

IUPAC2-chloro-3-fluoropyridin-4-amine;hydrochloride
SMILESCl.Nc1ccnc(Cl)c1F
InChIInChI=1S/C5H4ClFN2.ClH/c6-5-4(7)3(8)1-2-9-5;/h1-2H,(H2,8,9);1H
InChIKeyXSGIZUVTUDHJJM-UHFFFAOYSA-N
MW183.01 g/mol
LogP1.88
Rot. Bonds

About 2-chloro-3-fluoropyridin-4-amine;hydrochloride

2-chloro-3-fluoropyridin-4-amine;hydrochloride (PubChem CID 122236474) has the molecular formula C5H5Cl2FN2 and a molecular weight of 183.01 g/mol. Its IUPAC name is 2-chloro-3-fluoropyridin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-chloro-3-fluoropyridin-4-amine;hydrochloride
PubChem CID122236474
Molecular FormulaC5H5Cl2FN2
Molecular Weight183.01 g/mol
Exact Mass181.98
IUPAC Name2-chloro-3-fluoropyridin-4-amine;hydrochloride
SMILESCl.Nc1ccnc(Cl)c1F
InChIInChI=1S/C5H4ClFN2.ClH/c6-5-4(7)3(8)1-2-9-5;/h1-2H,(H2,8,9);1H
InChIKeyXSGIZUVTUDHJJM-UHFFFAOYSA-N
XLogP1.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.01
LogP ≤ 51.88
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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Related Compounds

4-Aminopyridine
CID 1727
3,4-Diaminopyridine
CID 5918
2-Chloropyridine
CID 7977
2-Chloro-3-pyridylamine
CID 80528
4-Chloropyridine hydrochloride
CID 81852
3-Chloropyridin-4-amine
CID 581853
4-Amino-3,5-dichloropyridine
CID 89888
4-Amino-3,5-dichloro-2-(trichloromethyl)pyridine
CID 139739
5-Amino-2-chloropyridine
CID 79305
4-Amino-3-iodopyridine
CID 1516510
1-(3-Chloropyridin-4-yl)piperazine
CID 11651319
4-(Methylamino)pyridine
CID 123098

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoropyridin-4-amine;hydrochloride?
The IUPAC name of 2-chloro-3-fluoropyridin-4-amine;hydrochloride (CID 122236474) is 2-chloro-3-fluoropyridin-4-amine;hydrochloride.
What is the SMILES notation for 2-chloro-3-fluoropyridin-4-amine;hydrochloride?
The canonical SMILES for 2-chloro-3-fluoropyridin-4-amine;hydrochloride is Cl.Nc1ccnc(Cl)c1F.
What is the InChIKey of 2-chloro-3-fluoropyridin-4-amine;hydrochloride?
The InChIKey is XSGIZUVTUDHJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFN2.ClH/c6-5-4(7)3(8)1-2-9-5;/h1-2H,(H2,8,9);1H.
What are the key properties of 2-chloro-3-fluoropyridin-4-amine;hydrochloride?
2-chloro-3-fluoropyridin-4-amine;hydrochloride has a molecular weight of 183.01 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoropyridin-4-amine;hydrochloride is sourced from PubChem (CID 122236474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).