2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine

C12H10ClFN2 — CID 102823905

IUPAC2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine
SMILESCc1ccc(F)c(Nc2ccnc(Cl)c2)c1
InChIInChI=1S/C12H10ClFN2/c1-8-2-3-10(14)11(6-8)16-9-4-5-15-12(13)7-9/h2-7H,1H3,(H,15,16)
InChIKeyYIWREZDSIFNLKL-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.93
Rot. Bonds2

About 2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine

2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine (PubChem CID 102823905) has the molecular formula C12H10ClFN2 and a molecular weight of 236.68 g/mol. Its IUPAC name is 2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine
PubChem CID102823905
Molecular FormulaC12H10ClFN2
Molecular Weight236.68 g/mol
Exact Mass236.05
IUPAC Name2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine
SMILESCc1ccc(F)c(Nc2ccnc(Cl)c2)c1
InChIInChI=1S/C12H10ClFN2/c1-8-2-3-10(14)11(6-8)16-9-4-5-15-12(13)7-9/h2-7H,1H3,(H,15,16)
InChIKeyYIWREZDSIFNLKL-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 53.93
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

2-chloro-N-(2,4,5-trifluorophenyl)pyridin-4-amine
CID 102824187
N-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine
CID 102824403
1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine
CID 134408936
2-chloro-N-(4-chloro-2-iodophenyl)pyridin-4-amine
CID 107637140
2-fluoro-N-(4-fluorophenyl)-5-methylaniline
CID 56637557
6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine
CID 62481306
N-(2-fluoro-5-methylphenyl)-1H-imidazol-2-amine
CID 106561042
N-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine
CID 102824263
4-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
CID 62927040
5-[(2-chloro-4-pyridinyl)amino]-2-fluorobenzonitrile
CID 102824174
2,6-dichloro-N-(2-fluoro-5-methylphenyl)aniline
CID 56618086
4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid
CID 43438570

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine (CID 102823905) is 2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine is Cc1ccc(F)c(Nc2ccnc(Cl)c2)c1.
What is the InChIKey of 2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine?
The InChIKey is YIWREZDSIFNLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2/c1-8-2-3-10(14)11(6-8)16-9-4-5-15-12(13)7-9/h2-7H,1H3,(H,15,16).
What are the key properties of 2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine?
2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine has a molecular weight of 236.68 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine is sourced from PubChem (CID 102823905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).