(2-chloro-5-fluorophenyl)-(3,5-dichloro-2-pyridinyl)methanamine

C12H8Cl3FN2 — CID 105395259

IUPAC(2-chloro-5-fluorophenyl)-(3,5-dichloro-2-pyridinyl)methanamine
SMILESNC(c1cc(F)ccc1Cl)c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl3FN2/c13-6-3-10(15)12(18-5-6)11(17)8-4-7(16)1-2-9(8)14/h1-5,11H,17H2
InChIKeyOJLQIVFKAJBVKB-UHFFFAOYSA-N
MW305.57 g/mol
LogP4.23
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-(3,5-dichloro-2-pyridinyl)methanamine

(2-chloro-5-fluorophenyl)-(3,5-dichloro-2-pyridinyl)methanamine (PubChem CID 105395259) has the molecular formula C12H8Cl3FN2 and a molecular weight of 305.57 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(3,5-dichloro-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(3,5-dichloro-2-pyridinyl)methanamine
PubChem CID105395259
Molecular FormulaC12H8Cl3FN2
Molecular Weight305.57 g/mol
Exact Mass303.97
IUPAC Name(2-chloro-5-fluorophenyl)-(3,5-dichloro-2-pyridinyl)methanamine
SMILESNC(c1cc(F)ccc1Cl)c1ncc(Cl)cc1Cl
InChIInChI=1S/C12H8Cl3FN2/c13-6-3-10(15)12(18-5-6)11(17)8-4-7(16)1-2-9(8)14/h1-5,11H,17H2
InChIKeyOJLQIVFKAJBVKB-UHFFFAOYSA-N
XLogP4.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.57
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine
CID 79780714
(3,5-dichloro-2-pyridinyl)-(2,4-dimethylphenyl)methanamine
CID 79780865
(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708360
1-(3,5-dichloro-2-pyridinyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 79780074
(2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine
CID 105394650
(3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289145
(2-chloro-5-fluorophenyl)-isoquinolin-1-ylmethanamine
CID 105394952
(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105394907
3,5-dichloro-2-(difluoromethyl)pyridine
CID 60622989
(3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine
CID 107560529
(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 79780298
1-(3,5-dichloro-2-pyridinyl)-2-(2,4-difluorophenyl)ethanol
CID 79780281

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(3,5-dichloro-2-pyridinyl)methanamine?
The IUPAC name of (2-chloro-5-fluorophenyl)-(3,5-dichloro-2-pyridinyl)methanamine (CID 105395259) is (2-chloro-5-fluorophenyl)-(3,5-dichloro-2-pyridinyl)methanamine.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(3,5-dichloro-2-pyridinyl)methanamine?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(3,5-dichloro-2-pyridinyl)methanamine is NC(c1cc(F)ccc1Cl)c1ncc(Cl)cc1Cl.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(3,5-dichloro-2-pyridinyl)methanamine?
The InChIKey is OJLQIVFKAJBVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3FN2/c13-6-3-10(15)12(18-5-6)11(17)8-4-7(16)1-2-9(8)14/h1-5,11H,17H2.
What are the key properties of (2-chloro-5-fluorophenyl)-(3,5-dichloro-2-pyridinyl)methanamine?
(2-chloro-5-fluorophenyl)-(3,5-dichloro-2-pyridinyl)methanamine has a molecular weight of 305.57 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(3,5-dichloro-2-pyridinyl)methanamine is sourced from PubChem (CID 105395259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).