2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine

C13H10ClF3N2O — CID 80523929

IUPAC2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine
SMILESFC(F)(F)Oc1ccc(CNc2ccnc(Cl)c2)cc1
InChIInChI=1S/C13H10ClF3N2O/c14-12-7-10(5-6-18-12)19-8-9-1-3-11(4-2-9)20-13(15,16)17/h1-7H,8H2,(H,18,19)
InChIKeyRRNPUDVUQCKXNB-UHFFFAOYSA-N
MW302.68 g/mol
LogP4.25
Rot. Bonds4

About 2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine

2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine (PubChem CID 80523929) has the molecular formula C13H10ClF3N2O and a molecular weight of 302.68 g/mol. Its IUPAC name is 2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine
PubChem CID80523929
Molecular FormulaC13H10ClF3N2O
Molecular Weight302.68 g/mol
Exact Mass302.04
IUPAC Name2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine
SMILESFC(F)(F)Oc1ccc(CNc2ccnc(Cl)c2)cc1
InChIInChI=1S/C13H10ClF3N2O/c14-12-7-10(5-6-18-12)19-8-9-1-3-11(4-2-9)20-13(15,16)17/h1-7H,8H2,(H,18,19)
InChIKeyRRNPUDVUQCKXNB-UHFFFAOYSA-N
XLogP4.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 80524115
3-chloro-4-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline
CID 28938361
2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine
CID 115696982
N-[(4-chloro-3-fluorophenyl)methyl]-4-(trifluoromethoxy)aniline
CID 63422535
3-bromo-4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline
CID 63463129
N-[(4-tert-butylphenyl)methyl]-4-chloro-3-[4-(trifluoromethoxy)phenyl]aniline
CID 59820837
2-chloro-N-[3-(4-methoxyphenyl)propyl]pyridin-4-amine
CID 133360019
N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indazol-5-amine
CID 162568313
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-(trifluoromethoxy)aniline
CID 4663581
5-chloro-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline
CID 29052780
2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine
CID 133374314
N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-4-amine
CID 91213014

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine (CID 80523929) is 2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine is FC(F)(F)Oc1ccc(CNc2ccnc(Cl)c2)cc1.
What is the InChIKey of 2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine?
The InChIKey is RRNPUDVUQCKXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O/c14-12-7-10(5-6-18-12)19-8-9-1-3-11(4-2-9)20-13(15,16)17/h1-7H,8H2,(H,18,19).
What are the key properties of 2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine?
2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine has a molecular weight of 302.68 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine is sourced from PubChem (CID 80523929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).