4-(4-amino-2-chlorophenyl)-3-fluoropyridine-2-carbonitrile

C12H7ClFN3 — CID 175711715

IUPAC4-(4-amino-2-chlorophenyl)-3-fluoropyridine-2-carbonitrile
SMILESN#Cc1nccc(-c2ccc(N)cc2Cl)c1F
InChIInChI=1S/C12H7ClFN3/c13-10-5-7(16)1-2-8(10)9-3-4-17-11(6-15)12(9)14/h1-5H,16H2
InChIKeyGXVYUCNZHGJPTA-UHFFFAOYSA-N
MW247.66 g/mol
LogP2.99
Rot. Bonds1

About 4-(4-amino-2-chlorophenyl)-3-fluoropyridine-2-carbonitrile

4-(4-amino-2-chlorophenyl)-3-fluoropyridine-2-carbonitrile (PubChem CID 175711715) has the molecular formula C12H7ClFN3 and a molecular weight of 247.66 g/mol. Its IUPAC name is 4-(4-amino-2-chlorophenyl)-3-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-amino-2-chlorophenyl)-3-fluoropyridine-2-carbonitrile
PubChem CID175711715
Molecular FormulaC12H7ClFN3
Molecular Weight247.66 g/mol
Exact Mass247.03
IUPAC Name4-(4-amino-2-chlorophenyl)-3-fluoropyridine-2-carbonitrile
SMILESN#Cc1nccc(-c2ccc(N)cc2Cl)c1F
InChIInChI=1S/C12H7ClFN3/c13-10-5-7(16)1-2-8(10)9-3-4-17-11(6-15)12(9)14/h1-5H,16H2
InChIKeyGXVYUCNZHGJPTA-UHFFFAOYSA-N
XLogP2.99
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.66
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

alpha-(4-Chlorophenyl)-2-pyridineacetonitrile
CID 99025
4-(Benzylamino)-2-chloronicotinonitrile
CID 788151
2-(4-Chlorophenyl)-2-(5-(trifluoromethyl)pyridin-2-yl)acetonitrile (20)
CID 56604850
2-(4-Chloro-2-fluorophenyl)-2-(5-(trifluoromethyl)-pyridin-2-yl)acetonitrile (31)
CID 77014339
3-chloro-4-methyl-N-[(E)-1-pyridin-3-ylethylideneamino]aniline
CID 9611230
3-chloro-4-methyl-N-[(E)-1-pyridin-4-ylethylideneamino]aniline
CID 9644652
2-(4-Chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 2773827
3-(2-(3-Chlorophenyl)ethyl)-2-pyridinecarbonitrile
CID 4123225
(2-(2-Chlorophenyl)pyridin-3-yl)methanamine
CID 44408767
2-(4-Chlorophenyl)-2-(5-(trifluoromethyl)pyridin-2-yl)propanenitrile (54)
CID 56604853
2-(4-Chlorophenyl)-2-(5-chloropyridin-2-yl) acetonitrile (14)
CID 14842828
2-(4-Chlorophenyl)-2-(5-methylpyridin-2-yl) acetonitrile (19)
CID 56604842

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-chlorophenyl)-3-fluoropyridine-2-carbonitrile?
The IUPAC name of 4-(4-amino-2-chlorophenyl)-3-fluoropyridine-2-carbonitrile (CID 175711715) is 4-(4-amino-2-chlorophenyl)-3-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-amino-2-chlorophenyl)-3-fluoropyridine-2-carbonitrile?
The canonical SMILES for 4-(4-amino-2-chlorophenyl)-3-fluoropyridine-2-carbonitrile is N#Cc1nccc(-c2ccc(N)cc2Cl)c1F.
What is the InChIKey of 4-(4-amino-2-chlorophenyl)-3-fluoropyridine-2-carbonitrile?
The InChIKey is GXVYUCNZHGJPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3/c13-10-5-7(16)1-2-8(10)9-3-4-17-11(6-15)12(9)14/h1-5H,16H2.
What are the key properties of 4-(4-amino-2-chlorophenyl)-3-fluoropyridine-2-carbonitrile?
4-(4-amino-2-chlorophenyl)-3-fluoropyridine-2-carbonitrile has a molecular weight of 247.66 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-chlorophenyl)-3-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 175711715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).