5-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine

C12H11ClFN3 — CID 114285819

IUPAC5-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine
SMILESNc1cncc(Cl)c1NCc1ccccc1F
InChIInChI=1S/C12H11ClFN3/c13-9-6-16-7-11(15)12(9)17-5-8-3-1-2-4-10(8)14/h1-4,6-7H,5,15H2,(H,16,17)
InChIKeySXDPZJQHACYMNS-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.07
Rot. Bonds3

About 5-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine

5-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine (PubChem CID 114285819) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 5-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine
PubChem CID114285819
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name5-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine
SMILESNc1cncc(Cl)c1NCc1ccccc1F
InChIInChI=1S/C12H11ClFN3/c13-9-6-16-7-11(15)12(9)17-5-8-3-1-2-4-10(8)14/h1-4,6-7H,5,15H2,(H,16,17)
InChIKeySXDPZJQHACYMNS-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine 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

2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
4-chloro-5-fluoro-1-N-[(2-fluorophenyl)methyl]benzene-1,2-diamine
CID 66079324
6-bromo-3-chloro-5-fluoro-N-[(2-fluorophenyl)methyl]quinolin-4-amine
CID 145244439
N-[(2-aminophenyl)methyl]-2,6-difluoroaniline
CID 66385039
6-[4-(aminomethyl)phenyl]-3-chloro-N-[(2-fluorophenyl)methyl]quinolin-4-amine
CID 145244523
2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
CID 115126755
2-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine
CID 10399928
N-[(2-aminophenyl)methyl]-2,6-dichloroaniline
CID 66418277
5-bromo-4-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3,4-diamine
CID 103518057
4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine
CID 106750257
N-[(2-chlorophenyl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 29034132
N-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline
CID 107643970

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine?
The IUPAC name of 5-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine (CID 114285819) is 5-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine?
The canonical SMILES for 5-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine is Nc1cncc(Cl)c1NCc1ccccc1F.
What is the InChIKey of 5-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine?
The InChIKey is SXDPZJQHACYMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c13-9-6-16-7-11(15)12(9)17-5-8-3-1-2-4-10(8)14/h1-4,6-7H,5,15H2,(H,16,17).
What are the key properties of 5-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine?
5-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine has a molecular weight of 251.69 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine is sourced from PubChem (CID 114285819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).