6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine

C6H4ClF3N2 — CID 130102458

IUPAC6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine
SMILESNc1c(C(F)F)cc(Cl)nc1F
InChIInChI=1S/C6H4ClF3N2/c7-3-1-2(5(8)9)4(11)6(10)12-3/h1,5H,11H2
InChIKeyTUPOOLNRRXRFBM-UHFFFAOYSA-N
MW196.56 g/mol
LogP2.39
Rot. Bonds1

About 6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine

6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine (PubChem CID 130102458) has the molecular formula C6H4ClF3N2 and a molecular weight of 196.56 g/mol. Its IUPAC name is 6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine.

Molecular Properties

Compound Name6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine
PubChem CID130102458
Molecular FormulaC6H4ClF3N2
Molecular Weight196.56 g/mol
Exact Mass196.00
IUPAC Name6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine
SMILESNc1c(C(F)F)cc(Cl)nc1F
InChIInChI=1S/C6H4ClF3N2/c7-3-1-2(5(8)9)4(11)6(10)12-3/h1,5H,11H2
InChIKeyTUPOOLNRRXRFBM-UHFFFAOYSA-N
XLogP2.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.56
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine
CID 130099205
4-(difluoromethyl)-2-fluoro-6-iodopyridin-3-amine
CID 130103860
6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine
CID 130102782
3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130102428
6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide
CID 130072196
2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 130071857
6-chloro-5-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130102456
2-bromo-6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine
CID 119001903
6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130070893
6-chloro-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 130102435
2-chloro-4-(difluoromethyl)-6-methoxypyridin-3-amine
CID 130102536
[3-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]methanamine
CID 118848182

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine?
The IUPAC name of 6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine (CID 130102458) is 6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine.
What is the SMILES notation for 6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine?
The canonical SMILES for 6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine is Nc1c(C(F)F)cc(Cl)nc1F.
What is the InChIKey of 6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine?
The InChIKey is TUPOOLNRRXRFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2/c7-3-1-2(5(8)9)4(11)6(10)12-3/h1,5H,11H2.
What are the key properties of 6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine?
6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine has a molecular weight of 196.56 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine is sourced from PubChem (CID 130102458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).