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

C6H4ClF2N3O2 — CID 118851730

IUPAC2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine
SMILESNc1cc([N+](=O)[O-])nc(Cl)c1C(F)F
InChIInChI=1S/C6H4ClF2N3O2/c7-5-4(6(8)9)2(10)1-3(11-5)12(13)14/h1,6H,(H2,10,11)
InChIKeyYWVSAWZIPUBDKU-UHFFFAOYSA-N
MW223.57 g/mol
LogP2.16
Rot. Bonds2

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

2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine (PubChem CID 118851730) has the molecular formula C6H4ClF2N3O2 and a molecular weight of 223.57 g/mol. Its IUPAC name is 2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine.

Molecular Properties

Compound Name2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine
PubChem CID118851730
Molecular FormulaC6H4ClF2N3O2
Molecular Weight223.57 g/mol
Exact Mass223.00
IUPAC Name2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine
SMILESNc1cc([N+](=O)[O-])nc(Cl)c1C(F)F
InChIInChI=1S/C6H4ClF2N3O2/c7-5-4(6(8)9)2(10)1-3(11-5)12(13)14/h1,6H,(H2,10,11)
InChIKeyYWVSAWZIPUBDKU-UHFFFAOYSA-N
XLogP2.16
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.57
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 118812167
3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine
CID 119018326
4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130102612
2,6-dichloro-3-(difluoromethyl)-4-nitropyridine
CID 119017807
4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile
CID 118845280
2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine
CID 130102739
4-amino-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 118828999
4-amino-6-chloro-5-(difluoromethyl)pyridine-2-sulfonamide
CID 130103126
2-chloro-4-(difluoromethyl)-6-nitropyridine
CID 118997619
[2-chloro-4-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 119013250
6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
CID 130102626
2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine
CID 118994549

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine?
The IUPAC name of 2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine (CID 118851730) is 2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine.
What is the SMILES notation for 2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine?
The canonical SMILES for 2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine is Nc1cc([N+](=O)[O-])nc(Cl)c1C(F)F.
What is the InChIKey of 2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine?
The InChIKey is YWVSAWZIPUBDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2N3O2/c7-5-4(6(8)9)2(10)1-3(11-5)12(13)14/h1,6H,(H2,10,11).
What are the key properties of 2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine?
2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine has a molecular weight of 223.57 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine is sourced from PubChem (CID 118851730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).