2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine

C7H6Cl2F2N2 — CID 130102739

IUPAC2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine
SMILESNc1cc(CCl)nc(Cl)c1C(F)F
InChIInChI=1S/C7H6Cl2F2N2/c8-2-3-1-4(12)5(7(10)11)6(9)13-3/h1,7H,2H2,(H2,12,13)
InChIKeyBDZUJRWIVFDXMZ-UHFFFAOYSA-N
MW227.04 g/mol
LogP2.99
Rot. Bonds2

About 2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine

2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine (PubChem CID 130102739) has the molecular formula C7H6Cl2F2N2 and a molecular weight of 227.04 g/mol. Its IUPAC name is 2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine
PubChem CID130102739
Molecular FormulaC7H6Cl2F2N2
Molecular Weight227.04 g/mol
Exact Mass225.99
IUPAC Name2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine
SMILESNc1cc(CCl)nc(Cl)c1C(F)F
InChIInChI=1S/C7H6Cl2F2N2/c8-2-3-1-4(12)5(7(10)11)6(9)13-3/h1,7H,2H2,(H2,12,13)
InChIKeyBDZUJRWIVFDXMZ-UHFFFAOYSA-N
XLogP2.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.04
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119024121
4-amino-6-chloro-5-(difluoromethyl)pyridine-2-sulfonamide
CID 130103126
4-amino-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 118828999
2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine
CID 118851730
[6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine
CID 130074108
[6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanamine
CID 130073082
6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130078267
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130074238
6-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridin-2-amine
CID 118997828
4-amino-6-chloro-3-(difluoromethyl)pyridine-2-carbonyl chloride
CID 118799690
2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine
CID 119019350
[2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118824071

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine?
The IUPAC name of 2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine (CID 130102739) is 2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine?
The canonical SMILES for 2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine is Nc1cc(CCl)nc(Cl)c1C(F)F.
What is the InChIKey of 2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine?
The InChIKey is BDZUJRWIVFDXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2F2N2/c8-2-3-1-4(12)5(7(10)11)6(9)13-3/h1,7H,2H2,(H2,12,13).
What are the key properties of 2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine?
2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine has a molecular weight of 227.04 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine is sourced from PubChem (CID 130102739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).