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

C6H4ClF2N3O2 — CID 130102612

IUPAC4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine
SMILESNc1c(Cl)cc([N+](=O)[O-])nc1C(F)F
InChIInChI=1S/C6H4ClF2N3O2/c7-2-1-3(12(13)14)11-5(4(2)10)6(8)9/h1,6H,10H2
InChIKeyALWWZOFWAZHSEC-UHFFFAOYSA-N
MW223.57 g/mol
LogP2.16
Rot. Bonds2

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

4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine (PubChem CID 130102612) has the molecular formula C6H4ClF2N3O2 and a molecular weight of 223.57 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine
PubChem CID130102612
Molecular FormulaC6H4ClF2N3O2
Molecular Weight223.57 g/mol
Exact Mass223.00
IUPAC Name4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine
SMILESNc1c(Cl)cc([N+](=O)[O-])nc1C(F)F
InChIInChI=1S/C6H4ClF2N3O2/c7-2-1-3(12(13)14)11-5(4(2)10)6(8)9/h1,6H,10H2
InChIKeyALWWZOFWAZHSEC-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine
CID 130103953
4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130101830
2-[4-chloro-2-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile
CID 118817087
2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine
CID 118851730
6-bromo-4-chloro-2-(difluoromethyl)pyridin-3-amine
CID 130101605
2-(difluoromethyl)-3,4-diiodo-6-nitropyridine
CID 118842792
4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile
CID 118845280
[2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine
CID 130081370
5-amino-4-chloro-6-(difluoromethyl)pyridine-2-sulfonamide
CID 130103115
2-chloro-4-(difluoromethyl)-6-nitropyridine
CID 118997619
4-(difluoromethyl)-2-methyl-6-nitropyridin-3-amine
CID 130106264
3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine
CID 130110794

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine?
The IUPAC name of 4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine (CID 130102612) is 4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine is Nc1c(Cl)cc([N+](=O)[O-])nc1C(F)F.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine?
The InChIKey is ALWWZOFWAZHSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2N3O2/c7-2-1-3(12(13)14)11-5(4(2)10)6(8)9/h1,6H,10H2.
What are the key properties of 4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine?
4-chloro-2-(difluoromethyl)-6-nitropyridin-3-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 4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine is sourced from PubChem (CID 130102612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).