N-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine

C12H11ClFN3 — CID 113398009

IUPACN-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine
SMILESNCc1ccc(Nc2ncc(Cl)cc2F)cc1
InChIInChI=1S/C12H11ClFN3/c13-9-5-11(14)12(16-7-9)17-10-3-1-8(6-15)2-4-10/h1-5,7H,6,15H2,(H,16,17)
InChIKeyKTVBLFYRFKNUHT-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.08
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine

N-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine (PubChem CID 113398009) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine
PubChem CID113398009
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC NameN-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine
SMILESNCc1ccc(Nc2ncc(Cl)cc2F)cc1
InChIInChI=1S/C12H11ClFN3/c13-9-5-11(14)12(16-7-9)17-10-3-1-8(6-15)2-4-10/h1-5,7H,6,15H2,(H,16,17)
InChIKeyKTVBLFYRFKNUHT-UHFFFAOYSA-N
XLogP3.08
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-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

2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]phenyl]acetonitrile
CID 79727692
4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile
CID 79728798
5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine
CID 79727989
N-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine
CID 114838670
5-chloro-N-(2,6-difluorophenyl)-3-fluoropyridin-2-amine
CID 79727964
5-chloro-N-(2,6-dichlorophenyl)-3-fluoropyridin-2-amine
CID 79727188
5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine
CID 79727161
4-(aminomethyl)-N-(4-chlorophenyl)aniline
CID 117027371
N-(5-chloro-3-fluoro-2-pyridinyl)quinolin-3-amine
CID 79728611
4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenol
CID 113252113
5-chloro-3-fluoro-N-(5-methyl-3-pyridinyl)pyridin-2-amine
CID 107586511
5-chloro-3-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130478073

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine?
The IUPAC name of N-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine (CID 113398009) is N-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine is NCc1ccc(Nc2ncc(Cl)cc2F)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine?
The InChIKey is KTVBLFYRFKNUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c13-9-5-11(14)12(16-7-9)17-10-3-1-8(6-15)2-4-10/h1-5,7H,6,15H2,(H,16,17).
What are the key properties of N-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine?
N-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine has a molecular weight of 251.69 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine is sourced from PubChem (CID 113398009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).