6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine

C14H13ClF3N3 — CID 102716058

IUPAC6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCN(Cc1ccccn1)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C14H13ClF3N3/c1-2-21(9-11-5-3-4-6-19-11)13-8-10(14(16,17)18)7-12(15)20-13/h3-8H,2,9H2,1H3
InChIKeyOOYKXTMMBPVXPD-UHFFFAOYSA-N
MW315.73 g/mol
LogP4.18
Rot. Bonds4

About 6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102716058) has the molecular formula C14H13ClF3N3 and a molecular weight of 315.73 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102716058
Molecular FormulaC14H13ClF3N3
Molecular Weight315.73 g/mol
Exact Mass315.08
IUPAC Name6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCN(Cc1ccccn1)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C14H13ClF3N3/c1-2-21(9-11-5-3-4-6-19-11)13-8-10(14(16,17)18)7-12(15)20-13/h3-8H,2,9H2,1H3
InChIKeyOOYKXTMMBPVXPD-UHFFFAOYSA-N
XLogP4.18
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715332
2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 102809534
6-chloro-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 118063119
4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80965607
N-ethyl-4,6-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 133404102
6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715736
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide
CID 102715690
N,2-diethyl-6-hydrazinyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80937399
6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715792
N-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80943671
N-[(2-bromophenyl)methyl]-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715585
6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80939812

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (CID 102716058) is 6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is CCN(Cc1ccccn1)c1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OOYKXTMMBPVXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3/c1-2-21(9-11-5-3-4-6-19-11)13-8-10(14(16,17)18)7-12(15)20-13/h3-8H,2,9H2,1H3.
What are the key properties of 6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 315.73 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102716058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).