2-chloro-4-fluoro-6-(2-methyl-4-pyridinyl)aniline

C12H10ClFN2 — CID 107616008

IUPAC2-chloro-4-fluoro-6-(2-methyl-4-pyridinyl)aniline
SMILESCc1cc(-c2cc(F)cc(Cl)c2N)ccn1
InChIInChI=1S/C12H10ClFN2/c1-7-4-8(2-3-16-7)10-5-9(14)6-11(13)12(10)15/h2-6H,15H2,1H3
InChIKeyCGTOOKKYJXDGKB-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.43
Rot. Bonds1

About 2-chloro-4-fluoro-6-(2-methyl-4-pyridinyl)aniline

2-chloro-4-fluoro-6-(2-methyl-4-pyridinyl)aniline (PubChem CID 107616008) has the molecular formula C12H10ClFN2 and a molecular weight of 236.68 g/mol. Its IUPAC name is 2-chloro-4-fluoro-6-(2-methyl-4-pyridinyl)aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-6-(2-methyl-4-pyridinyl)aniline
PubChem CID107616008
Molecular FormulaC12H10ClFN2
Molecular Weight236.68 g/mol
Exact Mass236.05
IUPAC Name2-chloro-4-fluoro-6-(2-methyl-4-pyridinyl)aniline
SMILESCc1cc(-c2cc(F)cc(Cl)c2N)ccn1
InChIInChI=1S/C12H10ClFN2/c1-7-4-8(2-3-16-7)10-5-9(14)6-11(13)12(10)15/h2-6H,15H2,1H3
InChIKeyCGTOOKKYJXDGKB-UHFFFAOYSA-N
XLogP3.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-chloro-4-fluoro-6-(2-methyl-4-pyridinyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline
CID 107616009
2-chloro-4-fluoro-6-phenylaniline
CID 69144890
2-chloro-6-(4-ethylphenyl)-4-fluoroaniline
CID 107615744
4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine
CID 175370030
4-fluoro-2-(2-methyl-4-pyridinyl)pyridine
CID 102824556
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine
CID 155401195
2-chloro-4-fluoro-6-(4-propoxyphenyl)aniline
CID 107615777
2,3,5-trichloro-6-(2-methyl-4-pyridinyl)pyridine
CID 102752756
4-(2,6-dimethylphenyl)-2-methylpyridine
CID 126725908
2-bromo-4-fluoro-6-(2-methoxy-4-pyridinyl)aniline
CID 153356943
4-chloro-6-(2-methyl-4-pyridinyl)-1,3,5-triazin-2-amine
CID 106754507
5-bromo-3-(2-methyl-4-pyridinyl)pyridin-2-amine
CID 118470305

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-6-(2-methyl-4-pyridinyl)aniline?
The IUPAC name of 2-chloro-4-fluoro-6-(2-methyl-4-pyridinyl)aniline (CID 107616008) is 2-chloro-4-fluoro-6-(2-methyl-4-pyridinyl)aniline.
What is the SMILES notation for 2-chloro-4-fluoro-6-(2-methyl-4-pyridinyl)aniline?
The canonical SMILES for 2-chloro-4-fluoro-6-(2-methyl-4-pyridinyl)aniline is Cc1cc(-c2cc(F)cc(Cl)c2N)ccn1.
What is the InChIKey of 2-chloro-4-fluoro-6-(2-methyl-4-pyridinyl)aniline?
The InChIKey is CGTOOKKYJXDGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2/c1-7-4-8(2-3-16-7)10-5-9(14)6-11(13)12(10)15/h2-6H,15H2,1H3.
What are the key properties of 2-chloro-4-fluoro-6-(2-methyl-4-pyridinyl)aniline?
2-chloro-4-fluoro-6-(2-methyl-4-pyridinyl)aniline has a molecular weight of 236.68 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-6-(2-methyl-4-pyridinyl)aniline is sourced from PubChem (CID 107616008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).