3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile

C7H4ClF2N3 — CID 130102428

IUPAC3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(Cl)cc(C(F)F)c1N
InChIInChI=1S/C7H4ClF2N3/c8-5-1-3(7(9)10)6(12)4(2-11)13-5/h1,7H,12H2
InChIKeyLNJYVGGGXFNMQI-UHFFFAOYSA-N
MW203.58 g/mol
LogP2.13
Rot. Bonds1

About 3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile

3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 130102428) has the molecular formula C7H4ClF2N3 and a molecular weight of 203.58 g/mol. Its IUPAC name is 3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID130102428
Molecular FormulaC7H4ClF2N3
Molecular Weight203.58 g/mol
Exact Mass203.01
IUPAC Name3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(Cl)cc(C(F)F)c1N
InChIInChI=1S/C7H4ClF2N3/c8-5-1-3(7(9)10)6(12)4(2-11)13-5/h1,7H,12H2
InChIKeyLNJYVGGGXFNMQI-UHFFFAOYSA-N
XLogP2.13
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.58
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130070893
6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130102458
6-chloro-4-(difluoromethyl)-3-nitropyridine-2-carbonitrile
CID 130071072
6-chloro-4-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-amine
CID 130102782
3-amino-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130094588
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070918
3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070896
6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
CID 130071247
4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130071160
6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130071234
6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130076129
6-amino-2-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130103708

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile (CID 130102428) is 3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1nc(Cl)cc(C(F)F)c1N.
What is the InChIKey of 3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is LNJYVGGGXFNMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2N3/c8-5-1-3(7(9)10)6(12)4(2-11)13-5/h1,7H,12H2.
What are the key properties of 3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile?
3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile has a molecular weight of 203.58 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130102428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).