(2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine

C12H9Cl2FN2 — CID 105038151

IUPAC(2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine
SMILESNC(c1ccncc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2FN2/c13-7-1-2-8(10(14)5-7)12(16)9-3-4-17-6-11(9)15/h1-6,12H,16H2
InChIKeyFZCLRYRBTPCLMK-UHFFFAOYSA-N
MW271.12 g/mol
LogP3.58
Rot. Bonds2

About (2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine

(2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine (PubChem CID 105038151) has the molecular formula C12H9Cl2FN2 and a molecular weight of 271.12 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine
PubChem CID105038151
Molecular FormulaC12H9Cl2FN2
Molecular Weight271.12 g/mol
Exact Mass270.01
IUPAC Name(2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine
SMILESNC(c1ccncc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl2FN2/c13-7-1-2-8(10(14)5-7)12(16)9-3-4-17-6-11(9)15/h1-6,12H,16H2
InChIKeyFZCLRYRBTPCLMK-UHFFFAOYSA-N
XLogP3.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine 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-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197872
(2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038108
(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-pyridinyl)methanamine
CID 105185666
(2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561229
(4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038146
(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344688
(5-chloro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114727131
(2-bromo-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038410
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 82822647
(3-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758356
(2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038455
(3-fluoro-4-pyridinyl)-quinolin-4-ylmethanamine
CID 105182016

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine?
The IUPAC name of (2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine (CID 105038151) is (2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine.
What is the SMILES notation for (2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine?
The canonical SMILES for (2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine is NC(c1ccncc1F)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine?
The InChIKey is FZCLRYRBTPCLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2/c13-7-1-2-8(10(14)5-7)12(16)9-3-4-17-6-11(9)15/h1-6,12H,16H2.
What are the key properties of (2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine?
(2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine has a molecular weight of 271.12 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine is sourced from PubChem (CID 105038151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).