[2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride

C12H13Cl2FN2 — CID 171365586

IUPAC[2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccnc(-c2cccc(F)c2)c1
InChIInChI=1S/C12H11FN2.2ClH/c13-11-3-1-2-10(7-11)12-6-9(8-14)4-5-15-12;;/h1-7H,8,14H2;2*1H
InChIKeyOJKNYSHWLVYTON-UHFFFAOYSA-N
MW275.15 g/mol
LogP3.19
Rot. Bonds2

About [2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride

[2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride (PubChem CID 171365586) has the molecular formula C12H13Cl2FN2 and a molecular weight of 275.15 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride
PubChem CID171365586
Molecular FormulaC12H13Cl2FN2
Molecular Weight275.15 g/mol
Exact Mass274.04
IUPAC Name[2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccnc(-c2cccc(F)c2)c1
InChIInChI=1S/C12H11FN2.2ClH/c13-11-3-1-2-10(7-11)12-6-9(8-14)4-5-15-12;;/h1-7H,8,14H2;2*1H
InChIKeyOJKNYSHWLVYTON-UHFFFAOYSA-N
XLogP3.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride 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-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride
CID 171365585
2-[2-(3-fluorophenyl)-4-pyridinyl]ethanol
CID 117001633
[2-(2-fluoro-3-methylphenyl)-4-pyridinyl]methanamine;dihydrochloride
CID 171365578
[2-(3-phenylmethoxyphenyl)-4-pyridinyl]methanamine
CID 171365592
1-[3-[4-(aminomethyl)-2-pyridinyl]phenyl]-2-phenylethanone
CID 159973548
[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine
CID 68758847
[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methanamine
CID 118222664
[4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methanamine
CID 170449805
[4-fluoro-3-(3-fluorophenyl)phenyl]methanamine
CID 46312433
[2-[4-(aminomethyl)phenyl]-4-pyridinyl]methanol
CID 150361039
4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine
CID 162709839
tris(2-[3-(3-fluorophenyl)phenyl]pyridine);iridium
CID 158235449

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride?
The IUPAC name of [2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride (CID 171365586) is [2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride.
What is the SMILES notation for [2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride?
The canonical SMILES for [2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride is Cl.Cl.NCc1ccnc(-c2cccc(F)c2)c1.
What is the InChIKey of [2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride?
The InChIKey is OJKNYSHWLVYTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2.2ClH/c13-11-3-1-2-10(7-11)12-6-9(8-14)4-5-15-12;;/h1-7H,8,14H2;2*1H.
What are the key properties of [2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride?
[2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride has a molecular weight of 275.15 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride is sourced from PubChem (CID 171365586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).