2-chloro-4-(2,2,2-trifluoroethyl)pyridin-3-amine

C7H6ClF3N2 — CID 172552203

IUPAC2-chloro-4-(2,2,2-trifluoroethyl)pyridin-3-amine
SMILESNc1c(CC(F)(F)F)ccnc1Cl
InChIInChI=1S/C7H6ClF3N2/c8-6-5(12)4(1-2-13-6)3-7(9,10)11/h1-2H,3,12H2
InChIKeyDMTVOESVBMQWAX-UHFFFAOYSA-N
MW210.59 g/mol
LogP2.42
Rot. Bonds1

About 2-chloro-4-(2,2,2-trifluoroethyl)pyridin-3-amine

2-chloro-4-(2,2,2-trifluoroethyl)pyridin-3-amine (PubChem CID 172552203) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is 2-chloro-4-(2,2,2-trifluoroethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-(2,2,2-trifluoroethyl)pyridin-3-amine
PubChem CID172552203
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name2-chloro-4-(2,2,2-trifluoroethyl)pyridin-3-amine
SMILESNc1c(CC(F)(F)F)ccnc1Cl
InChIInChI=1S/C7H6ClF3N2/c8-6-5(12)4(1-2-13-6)3-7(9,10)11/h1-2H,3,12H2
InChIKeyDMTVOESVBMQWAX-UHFFFAOYSA-N
XLogP2.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.59
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-4-(2,2,2-trifluoroethyl)pyridin-3-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

1-(3-amino-2-chloro-4-pyridinyl)-2,2,2-trifluoroethane-1,1-diol
CID 155340363
2-chloro-3-(2,2,2-trifluoroethyl)aniline
CID 175132449
2-ethyl-3-(2,2,2-trifluoroethyl)pyridine
CID 177328256
[2-chloro-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 134619576
3-(3-amino-2-chloro-4-pyridinyl)-3-methylbutan-1-ol
CID 122501475
2-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine
CID 10399928
4-chloro-2-ethyl-5-(2,2,2-trifluoroethyl)pyrimidine
CID 131115505
2-chloro-4-(3,5-difluorophenyl)pyridin-3-amine
CID 96591103
2,3-dichloro-4-(trifluoromethyl)pyridine
CID 15132714
2-ethyl-3,4-bis(2,2,2-trifluoroethyl)pyridine;phosphoric acid
CID 159116546
[5-chloro-2-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 19065069
2-nitro-6-(2,2,2-trifluoroethyl)aniline
CID 121415761

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,2,2-trifluoroethyl)pyridin-3-amine?
The IUPAC name of 2-chloro-4-(2,2,2-trifluoroethyl)pyridin-3-amine (CID 172552203) is 2-chloro-4-(2,2,2-trifluoroethyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-(2,2,2-trifluoroethyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-4-(2,2,2-trifluoroethyl)pyridin-3-amine is Nc1c(CC(F)(F)F)ccnc1Cl.
What is the InChIKey of 2-chloro-4-(2,2,2-trifluoroethyl)pyridin-3-amine?
The InChIKey is DMTVOESVBMQWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2/c8-6-5(12)4(1-2-13-6)3-7(9,10)11/h1-2H,3,12H2.
What are the key properties of 2-chloro-4-(2,2,2-trifluoroethyl)pyridin-3-amine?
2-chloro-4-(2,2,2-trifluoroethyl)pyridin-3-amine has a molecular weight of 210.59 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,2,2-trifluoroethyl)pyridin-3-amine is sourced from PubChem (CID 172552203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).