(4-chlorophenyl)methanamine;2,6-difluoropyridine;methane

C13H15ClF2N2 — CID 160889708

IUPAC(4-chlorophenyl)methanamine;2,6-difluoropyridine;methane
SMILESC.Fc1cccc(F)n1.NCc1ccc(Cl)cc1
InChIInChI=1S/C7H8ClN.C5H3F2N.CH4/c8-7-3-1-6(5-9)2-4-7;6-4-2-1-3-5(7)8-4;/h1-4H,5,9H2;1-3H;1H4
InChIKeySOCIVZSDFSJHGI-UHFFFAOYSA-N
MW272.73 g/mol
LogP3.79
Rot. Bonds1

About (4-chlorophenyl)methanamine;2,6-difluoropyridine;methane

(4-chlorophenyl)methanamine;2,6-difluoropyridine;methane (PubChem CID 160889708) has the molecular formula C13H15ClF2N2 and a molecular weight of 272.73 g/mol. Its IUPAC name is (4-chlorophenyl)methanamine;2,6-difluoropyridine;methane.

Molecular Properties

Compound Name(4-chlorophenyl)methanamine;2,6-difluoropyridine;methane
PubChem CID160889708
Molecular FormulaC13H15ClF2N2
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name(4-chlorophenyl)methanamine;2,6-difluoropyridine;methane
SMILESC.Fc1cccc(F)n1.NCc1ccc(Cl)cc1
InChIInChI=1S/C7H8ClN.C5H3F2N.CH4/c8-7-3-1-6(5-9)2-4-7;6-4-2-1-3-5(7)8-4;/h1-4H,5,9H2;1-3H;1H4
InChIKeySOCIVZSDFSJHGI-UHFFFAOYSA-N
XLogP3.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoropyridine;hydrate
CID 56972369
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244
4-(aminomethyl)-N-(4-chlorophenyl)aniline
CID 117027371
[4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934357
6-[(4-chlorophenyl)methyl]pyridin-2-amine
CID 151591234
bis(4-chlorophenol);phenylmethanamine
CID 70600603
[3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine
CID 54912158
[3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine
CID 115212992
(3-chloro-4-fluorophenyl)methanamine;methoxymethane
CID 144849872
[4-(3,4-difluorophenyl)phenyl]methanamine
CID 61033518
[4-(aminomethyl)phenyl]methanamine;tetrachlorostannane
CID 175880044
N-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine
CID 113398009

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methanamine;2,6-difluoropyridine;methane?
The IUPAC name of (4-chlorophenyl)methanamine;2,6-difluoropyridine;methane (CID 160889708) is (4-chlorophenyl)methanamine;2,6-difluoropyridine;methane.
What is the SMILES notation for (4-chlorophenyl)methanamine;2,6-difluoropyridine;methane?
The canonical SMILES for (4-chlorophenyl)methanamine;2,6-difluoropyridine;methane is C.Fc1cccc(F)n1.NCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methanamine;2,6-difluoropyridine;methane?
The InChIKey is SOCIVZSDFSJHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN.C5H3F2N.CH4/c8-7-3-1-6(5-9)2-4-7;6-4-2-1-3-5(7)8-4;/h1-4H,5,9H2;1-3H;1H4.
What are the key properties of (4-chlorophenyl)methanamine;2,6-difluoropyridine;methane?
(4-chlorophenyl)methanamine;2,6-difluoropyridine;methane has a molecular weight of 272.73 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methanamine;2,6-difluoropyridine;methane is sourced from PubChem (CID 160889708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).