3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine

C14H13ClF3N3 — CID 82737497

IUPAC3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCc1cccnc1CNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H13ClF3N3/c1-2-9-4-3-5-19-12(9)8-21-13-11(15)6-10(7-20-13)14(16,17)18/h3-7H,2,8H2,1H3,(H,20,21)
InChIKeyZVLACNKWIRGHCK-UHFFFAOYSA-N
MW315.73 g/mol
LogP4.32
Rot. Bonds4

About 3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 82737497) has the molecular formula C14H13ClF3N3 and a molecular weight of 315.73 g/mol. Its IUPAC name is 3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID82737497
Molecular FormulaC14H13ClF3N3
Molecular Weight315.73 g/mol
Exact Mass315.08
IUPAC Name3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCc1cccnc1CNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H13ClF3N3/c1-2-9-4-3-5-19-12(9)8-21-13-11(15)6-10(7-20-13)14(16,17)18/h3-7H,2,8H2,1H3,(H,20,21)
InChIKeyZVLACNKWIRGHCK-UHFFFAOYSA-N
XLogP4.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine
CID 82749017
2-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-4-(trifluoromethyl)aniline
CID 82736346
3-chloro-5-(trifluoromethyl)-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine
CID 60507202
N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 60876439
2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 106890669
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 82740922
(1S)-1-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]ethanol
CID 97020715
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 82872733
3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63306272
3-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 103703845
3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide
CID 31980902

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 82737497) is 3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine is CCc1cccnc1CNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZVLACNKWIRGHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3/c1-2-9-4-3-5-19-12(9)8-21-13-11(15)6-10(7-20-13)14(16,17)18/h3-7H,2,8H2,1H3,(H,20,21).
What are the key properties of 3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 315.73 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 82737497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).