2-amino-4-(2,6-dichlorophenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile

C16H10Cl2N2O3 — CID 3786740

IUPAC2-amino-4-(2,6-dichlorophenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2cc(O)cc(O)c2C1c1c(Cl)cccc1Cl
InChIInChI=1S/C16H10Cl2N2O3/c17-9-2-1-3-10(18)14(9)13-8(6-19)16(20)23-12-5-7(21)4-11(22)15(12)13/h1-5,13,21-22H,20H2
InChIKeyUGFKRDOAXVWHIB-UHFFFAOYSA-N
MW349.17 g/mol
LogP3.62
Rot. Bonds1

About 2-amino-4-(2,6-dichlorophenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile

2-amino-4-(2,6-dichlorophenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile (PubChem CID 3786740) has the molecular formula C16H10Cl2N2O3 and a molecular weight of 349.17 g/mol. Its IUPAC name is 2-amino-4-(2,6-dichlorophenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,6-dichlorophenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile
PubChem CID3786740
Molecular FormulaC16H10Cl2N2O3
Molecular Weight349.17 g/mol
Exact Mass348.01
IUPAC Name2-amino-4-(2,6-dichlorophenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2cc(O)cc(O)c2C1c1c(Cl)cccc1Cl
InChIInChI=1S/C16H10Cl2N2O3/c17-9-2-1-3-10(18)14(9)13-8(6-19)16(20)23-12-5-7(21)4-11(22)15(12)13/h1-5,13,21-22H,20H2
InChIKeyUGFKRDOAXVWHIB-UHFFFAOYSA-N
XLogP3.62
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-2-amino-4-(2-chloro-6-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 8613693
2-amino-4-(2,6-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
CID 3118462
(4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 766183
2-amino-5,7-dihydroxy-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4H-chromene-3-carbonitrile
CID 10091963
(4S)-2-amino-6-chloro-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 791387
(4R)-2,7-diamino-4-(2-chlorophenyl)-4H-chromene-3-carbonitrile
CID 749460
7-amino-5-(2,6-dichlorophenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 3466377
ethyl (4R)-6-amino-5-cyano-4-(2,6-dichlorophenyl)-2-methyl-4H-pyran-3-carboxylate
CID 985604
(4S)-2-amino-4-(2,6-dichlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile
CID 1036480
(4S)-2-amino-4-[4-[(2-chlorophenyl)methoxy]phenyl]-7-hydroxy-4H-chromene-3-carbonitrile
CID 1312537
(4S)-2-amino-4-(3,5-dichloro-4-prop-2-ynoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 126144481
(4R)-2-amino-6-chloro-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 791384

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,6-dichlorophenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,6-dichlorophenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile (CID 3786740) is 2-amino-4-(2,6-dichlorophenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,6-dichlorophenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,6-dichlorophenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile is N#CC1=C(N)Oc2cc(O)cc(O)c2C1c1c(Cl)cccc1Cl.
What is the InChIKey of 2-amino-4-(2,6-dichlorophenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile?
The InChIKey is UGFKRDOAXVWHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O3/c17-9-2-1-3-10(18)14(9)13-8(6-19)16(20)23-12-5-7(21)4-11(22)15(12)13/h1-5,13,21-22H,20H2.
What are the key properties of 2-amino-4-(2,6-dichlorophenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile?
2-amino-4-(2,6-dichlorophenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile has a molecular weight of 349.17 g/mol, XLogP of 3.62, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,6-dichlorophenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile is sourced from PubChem (CID 3786740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).