4-[2-(2-chloro-5-fluorophenyl)ethyl]pyridin-2-amine

C13H12ClFN2 — CID 102620314

IUPAC4-[2-(2-chloro-5-fluorophenyl)ethyl]pyridin-2-amine
SMILESNc1cc(CCc2cc(F)ccc2Cl)ccn1
InChIInChI=1S/C13H12ClFN2/c14-12-4-3-11(15)8-10(12)2-1-9-5-6-17-13(16)7-9/h3-8H,1-2H2,(H2,16,17)
InChIKeyVJHNIGZXEKQQJY-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.24
Rot. Bonds3

About 4-[2-(2-chloro-5-fluorophenyl)ethyl]pyridin-2-amine

4-[2-(2-chloro-5-fluorophenyl)ethyl]pyridin-2-amine (PubChem CID 102620314) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 4-[2-(2-chloro-5-fluorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(2-chloro-5-fluorophenyl)ethyl]pyridin-2-amine
PubChem CID102620314
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name4-[2-(2-chloro-5-fluorophenyl)ethyl]pyridin-2-amine
SMILESNc1cc(CCc2cc(F)ccc2Cl)ccn1
InChIInChI=1S/C13H12ClFN2/c14-12-4-3-11(15)8-10(12)2-1-9-5-6-17-13(16)7-9/h3-8H,1-2H2,(H2,16,17)
InChIKeyVJHNIGZXEKQQJY-UHFFFAOYSA-N
XLogP3.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[2-(2-chloro-5-fluorophenyl)ethyl]pyridin-2-amine 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

4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine
CID 62465698
4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine
CID 54402411
4-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine
CID 62467659
6-[(2-chloro-5-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 102616314
4-[(2,4-difluorophenoxy)methyl]pyridin-2-amine
CID 62464402
2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491660
4-[(3,4-dichlorophenoxy)methyl]pyridin-2-amine
CID 62466575
4-[2-(3-methylphenyl)ethyl]pyridin-2-amine
CID 56992770
4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 81492517
1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-amine
CID 102616038
4-(aminomethyl)pyridin-2-amine;methane
CID 158878450
4-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]pyridin-2-amine
CID 113470555

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-5-fluorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-(2-chloro-5-fluorophenyl)ethyl]pyridin-2-amine (CID 102620314) is 4-[2-(2-chloro-5-fluorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(2-chloro-5-fluorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-(2-chloro-5-fluorophenyl)ethyl]pyridin-2-amine is Nc1cc(CCc2cc(F)ccc2Cl)ccn1.
What is the InChIKey of 4-[2-(2-chloro-5-fluorophenyl)ethyl]pyridin-2-amine?
The InChIKey is VJHNIGZXEKQQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c14-12-4-3-11(15)8-10(12)2-1-9-5-6-17-13(16)7-9/h3-8H,1-2H2,(H2,16,17).
What are the key properties of 4-[2-(2-chloro-5-fluorophenyl)ethyl]pyridin-2-amine?
4-[2-(2-chloro-5-fluorophenyl)ethyl]pyridin-2-amine has a molecular weight of 250.70 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-5-fluorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 102620314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).