4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine

C8H6ClF5N2 — CID 119011225

IUPAC4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(C(F)(F)F)c(CCl)c1C(F)F
InChIInChI=1S/C8H6ClF5N2/c9-1-3-4(8(12,13)14)2-16-7(15)5(3)6(10)11/h2,6H,1H2,(H2,15,16)
InChIKeyKLGOCPYWJKZJOJ-UHFFFAOYSA-N
MW260.59 g/mol
LogP3.36
Rot. Bonds2

About 4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine

4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 119011225) has the molecular formula C8H6ClF5N2 and a molecular weight of 260.59 g/mol. Its IUPAC name is 4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID119011225
Molecular FormulaC8H6ClF5N2
Molecular Weight260.59 g/mol
Exact Mass260.01
IUPAC Name4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(C(F)(F)F)c(CCl)c1C(F)F
InChIInChI=1S/C8H6ClF5N2/c9-1-3-4(8(12,13)14)2-16-7(15)5(3)6(10)11/h2,6H,1H2,(H2,15,16)
InChIKeyKLGOCPYWJKZJOJ-UHFFFAOYSA-N
XLogP3.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.59
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine
CID 119006850
4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119015246
ethyl 2-[2-amino-3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 134663948
4-(chloromethyl)-2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine
CID 130087396
6-amino-4-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 130107574
2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol
CID 118993704
3-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-2-amine
CID 119010486
2-[2-amino-5-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 119020769
5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119007700
2-(chloromethyl)-3-(difluoromethyl)-4-iodo-5-(trifluoromethyl)pyridine
CID 118826938
2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118990891
2-(chloromethyl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 123571784

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 119011225) is 4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine is Nc1ncc(C(F)(F)F)c(CCl)c1C(F)F.
What is the InChIKey of 4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KLGOCPYWJKZJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF5N2/c9-1-3-4(8(12,13)14)2-16-7(15)5(3)6(10)11/h2,6H,1H2,(H2,15,16).
What are the key properties of 4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine?
4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 260.59 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 119011225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).