4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine

C6H4ClF2N3O2 — CID 130102613

IUPAC4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
SMILESNc1c([N+](=O)[O-])ncc(C(F)F)c1Cl
InChIInChI=1S/C6H4ClF2N3O2/c7-3-2(5(8)9)1-11-6(4(3)10)12(13)14/h1,5H,10H2
InChIKeyZXRAAOLABOEGKS-UHFFFAOYSA-N
MW223.57 g/mol
LogP2.16
Rot. Bonds2

About 4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine

4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine (PubChem CID 130102613) has the molecular formula C6H4ClF2N3O2 and a molecular weight of 223.57 g/mol. Its IUPAC name is 4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine.

Molecular Properties

Compound Name4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
PubChem CID130102613
Molecular FormulaC6H4ClF2N3O2
Molecular Weight223.57 g/mol
Exact Mass223.00
IUPAC Name4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
SMILESNc1c([N+](=O)[O-])ncc(C(F)F)c1Cl
InChIInChI=1S/C6H4ClF2N3O2/c7-3-2(5(8)9)1-11-6(4(3)10)12(13)14/h1,5H,10H2
InChIKeyZXRAAOLABOEGKS-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

3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride
CID 134685592
5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol
CID 130104620
5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine
CID 130101837
5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine
CID 130106874
5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine
CID 130101236
ethyl 3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carboxylate
CID 134667804
5-(difluoromethyl)-4-nitropyridine-2,3-diamine
CID 119023980
6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
CID 130102626
5-bromo-4-chloro-3-(difluoromethyl)-2-nitropyridine
CID 130107987
5-bromo-3-chloro-4-(difluoromethyl)-2-nitropyridine
CID 130107993
5-chloro-4-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride
CID 131446496
4-chloro-5-(difluoromethyl)-6-nitropyridine-3-sulfonyl chloride
CID 131446510

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine?
The IUPAC name of 4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine (CID 130102613) is 4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine.
What is the SMILES notation for 4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine?
The canonical SMILES for 4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine is Nc1c([N+](=O)[O-])ncc(C(F)F)c1Cl.
What is the InChIKey of 4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine?
The InChIKey is ZXRAAOLABOEGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2N3O2/c7-3-2(5(8)9)1-11-6(4(3)10)12(13)14/h1,5H,10H2.
What are the key properties of 4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine?
4-chloro-5-(difluoromethyl)-2-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-5-(difluoromethyl)-2-nitropyridin-3-amine is sourced from PubChem (CID 130102613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).