N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine

C13H11ClF3N3 — CID 60876439

IUPACN-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1ccc(CNc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C13H11ClF3N3/c14-11-5-9(13(15,16)17)7-20-12(11)19-6-8-1-3-10(18)4-2-8/h1-5,7H,6,18H2,(H,19,20)
InChIKeySMRIURDGYYORIZ-UHFFFAOYSA-N
MW301.70 g/mol
LogP3.95
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine

N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 60876439) has the molecular formula C13H11ClF3N3 and a molecular weight of 301.70 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
PubChem CID60876439
Molecular FormulaC13H11ClF3N3
Molecular Weight301.70 g/mol
Exact Mass301.06
IUPAC NameN-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1ccc(CNc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C13H11ClF3N3/c14-11-5-9(13(15,16)17)7-20-12(11)19-6-8-1-3-10(18)4-2-8/h1-5,7H,6,18H2,(H,19,20)
InChIKeySMRIURDGYYORIZ-UHFFFAOYSA-N
XLogP3.95
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]ethanol
CID 97020715
N-[(4-aminophenyl)methyl]-5-bromo-3-chloropyridin-2-amine
CID 103582888
3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzenesulfonamide
CID 31980902
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
[1-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]piperidin-4-yl]methanol
CID 51119754
2-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzene-1,2-diamine
CID 2783012
3-chloro-N-[4-(2-chloroethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 65029357
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 113238278
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 82872733
N-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 78983980
3-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 103703845
N-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 60875723

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine (CID 60876439) is N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine is Nc1ccc(CNc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SMRIURDGYYORIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3/c14-11-5-9(13(15,16)17)7-20-12(11)19-6-8-1-3-10(18)4-2-8/h1-5,7H,6,18H2,(H,19,20).
What are the key properties of N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine?
N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 301.70 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 60876439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).