(3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine

C13H8Cl2F4N2 — CID 107289145

IUPAC(3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(F)c(C(F)(F)F)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2F4N2/c14-7-4-9(15)12(21-5-7)11(20)6-1-2-10(16)8(3-6)13(17,18)19/h1-5,11H,20H2
InChIKeyYHSLXRNZQLPKNL-UHFFFAOYSA-N
MW339.12 g/mol
LogP4.59
Rot. Bonds2

About (3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine

(3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 107289145) has the molecular formula C13H8Cl2F4N2 and a molecular weight of 339.12 g/mol. Its IUPAC name is (3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
PubChem CID107289145
Molecular FormulaC13H8Cl2F4N2
Molecular Weight339.12 g/mol
Exact Mass338.00
IUPAC Name(3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(F)c(C(F)(F)F)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2F4N2/c14-7-4-9(15)12(21-5-7)11(20)6-1-2-10(16)8(3-6)13(17,18)19/h1-5,11H,20H2
InChIKeyYHSLXRNZQLPKNL-UHFFFAOYSA-N
XLogP4.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.12
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 79780298
(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708360
(3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine
CID 107560529
(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 115801247
(3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine
CID 79780714
(4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291877
(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methanamine
CID 138040700
(2-chloro-5-fluorophenyl)-(3,5-dichloro-2-pyridinyl)methanamine
CID 105395259
(5-bromo-4-chlorothiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 80530745
(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288719
(3,5-dichloro-2-pyridinyl)-(3,4-difluorophenyl)methanol
CID 79780694
[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methoxy-3-pyridinyl)methanamine
CID 107291766

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine (CID 107289145) is (3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine is NC(c1ccc(F)c(C(F)(F)F)c1)c1ncc(Cl)cc1Cl.
What is the InChIKey of (3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is YHSLXRNZQLPKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F4N2/c14-7-4-9(15)12(21-5-7)11(20)6-1-2-10(16)8(3-6)13(17,18)19/h1-5,11H,20H2.
What are the key properties of (3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
(3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 339.12 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 107289145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).