3-fluoro-4-(naphthalene-2-carbonyl)pyridine-2-carbonitrile

C17H9FN2O — CID 59797225

IUPAC3-fluoro-4-(naphthalene-2-carbonyl)pyridine-2-carbonitrile
SMILESN#Cc1nccc(C(=O)c2ccc3ccccc3c2)c1F
InChIInChI=1S/C17H9FN2O/c18-16-14(7-8-20-15(16)10-19)17(21)13-6-5-11-3-1-2-4-12(11)9-13/h1-9H
InChIKeyPDAISSJLCPAWHT-UHFFFAOYSA-N
MW276.27 g/mol
LogP3.48
Rot. Bonds2

About 3-fluoro-4-(naphthalene-2-carbonyl)pyridine-2-carbonitrile

3-fluoro-4-(naphthalene-2-carbonyl)pyridine-2-carbonitrile (PubChem CID 59797225) has the molecular formula C17H9FN2O and a molecular weight of 276.27 g/mol. Its IUPAC name is 3-fluoro-4-(naphthalene-2-carbonyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-fluoro-4-(naphthalene-2-carbonyl)pyridine-2-carbonitrile
PubChem CID59797225
Molecular FormulaC17H9FN2O
Molecular Weight276.27 g/mol
Exact Mass276.07
IUPAC Name3-fluoro-4-(naphthalene-2-carbonyl)pyridine-2-carbonitrile
SMILESN#Cc1nccc(C(=O)c2ccc3ccccc3c2)c1F
InChIInChI=1S/C17H9FN2O/c18-16-14(7-8-20-15(16)10-19)17(21)13-6-5-11-3-1-2-4-12(11)9-13/h1-9H
InChIKeyPDAISSJLCPAWHT-UHFFFAOYSA-N
XLogP3.48
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-bis(methylsulfanyl)-5-(naphthalene-2-carbonyl)pyridine-3-carbonitrile
CID 102574869
dinaphthalen-2-ylmethanone
CID 10945915
3-(3-bromo-4-fluorobenzoyl)pyridine-2-carbonitrile
CID 59327522
(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanone
CID 23070163
(2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone
CID 82685979
(2-fluorophenyl)-quinolin-7-ylmethanone
CID 81220480
(2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone
CID 114970378
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
cyclobuten-1-yl(naphthalen-2-yl)methanone
CID 102414446
(3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone
CID 81220410
(4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone
CID 114970401
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(naphthalene-2-carbonyl)pyridine-2-carbonitrile?
The IUPAC name of 3-fluoro-4-(naphthalene-2-carbonyl)pyridine-2-carbonitrile (CID 59797225) is 3-fluoro-4-(naphthalene-2-carbonyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-fluoro-4-(naphthalene-2-carbonyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-fluoro-4-(naphthalene-2-carbonyl)pyridine-2-carbonitrile is N#Cc1nccc(C(=O)c2ccc3ccccc3c2)c1F.
What is the InChIKey of 3-fluoro-4-(naphthalene-2-carbonyl)pyridine-2-carbonitrile?
The InChIKey is PDAISSJLCPAWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9FN2O/c18-16-14(7-8-20-15(16)10-19)17(21)13-6-5-11-3-1-2-4-12(11)9-13/h1-9H.
What are the key properties of 3-fluoro-4-(naphthalene-2-carbonyl)pyridine-2-carbonitrile?
3-fluoro-4-(naphthalene-2-carbonyl)pyridine-2-carbonitrile has a molecular weight of 276.27 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(naphthalene-2-carbonyl)pyridine-2-carbonitrile is sourced from PubChem (CID 59797225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).