2-amino-6-chloro-4-pyridin-4-yl-4H-benzo[h]chromene-3-carbonitrile

C19H12ClN3O — CID 53396579

IUPAC2-amino-6-chloro-4-pyridin-4-yl-4H-benzo[h]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)C1c1ccncc1
InChIInChI=1S/C19H12ClN3O/c20-16-9-14-17(11-5-7-23-8-6-11)15(10-21)19(22)24-18(14)13-4-2-1-3-12(13)16/h1-9,17H,22H2
InChIKeyNVNZCXKWVLHDQB-UHFFFAOYSA-N
MW333.78 g/mol
LogP4.11
Rot. Bonds1

About 2-amino-6-chloro-4-pyridin-4-yl-4H-benzo[h]chromene-3-carbonitrile

2-amino-6-chloro-4-pyridin-4-yl-4H-benzo[h]chromene-3-carbonitrile (PubChem CID 53396579) has the molecular formula C19H12ClN3O and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-amino-6-chloro-4-pyridin-4-yl-4H-benzo[h]chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-chloro-4-pyridin-4-yl-4H-benzo[h]chromene-3-carbonitrile
PubChem CID53396579
Molecular FormulaC19H12ClN3O
Molecular Weight333.78 g/mol
Exact Mass333.07
IUPAC Name2-amino-6-chloro-4-pyridin-4-yl-4H-benzo[h]chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)C1c1ccncc1
InChIInChI=1S/C19H12ClN3O/c20-16-9-14-17(11-5-7-23-8-6-11)15(10-21)19(22)24-18(14)13-4-2-1-3-12(13)16/h1-9,17H,22H2
InChIKeyNVNZCXKWVLHDQB-UHFFFAOYSA-N
XLogP4.11
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-chloro-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 134876103
2-amino-6-chloro-4-(2-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 155522378
2-amino-6-chloro-4-(3-cyanophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 155511994
(4R)-2-amino-6-chloro-4-(3,4,5-trimethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 1025854
(4S)-2,7-diamino-4-pyridin-4-yl-4H-chromene-3-carbonitrile
CID 749457
2-amino-4-phenyl-4H-pyrano[2,3-f]quinoline-3-carbonitrile
CID 134110647
(4R)-2-amino-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 673966
6-chloro-4-(4-chlorophenyl)-2-[(E)-(4-methoxyphenyl)methylideneamino]-4H-benzo[h]chromene-3-carbonitrile
CID 11812898
ethyl (1E)-N-[6-chloro-4-(4-chlorophenyl)-3-cyano-4H-benzo[h]chromen-2-yl]methanimidate
CID 10884358
2-[(E)-benzylideneamino]-4-(4-bromophenyl)-6-chloro-4H-benzo[h]chromene-3-carbonitrile
CID 11827205
(4R)-2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 700282
2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile
CID 15546482

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-4-pyridin-4-yl-4H-benzo[h]chromene-3-carbonitrile?
The IUPAC name of 2-amino-6-chloro-4-pyridin-4-yl-4H-benzo[h]chromene-3-carbonitrile (CID 53396579) is 2-amino-6-chloro-4-pyridin-4-yl-4H-benzo[h]chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-6-chloro-4-pyridin-4-yl-4H-benzo[h]chromene-3-carbonitrile?
The canonical SMILES for 2-amino-6-chloro-4-pyridin-4-yl-4H-benzo[h]chromene-3-carbonitrile is N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)C1c1ccncc1.
What is the InChIKey of 2-amino-6-chloro-4-pyridin-4-yl-4H-benzo[h]chromene-3-carbonitrile?
The InChIKey is NVNZCXKWVLHDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O/c20-16-9-14-17(11-5-7-23-8-6-11)15(10-21)19(22)24-18(14)13-4-2-1-3-12(13)16/h1-9,17H,22H2.
What are the key properties of 2-amino-6-chloro-4-pyridin-4-yl-4H-benzo[h]chromene-3-carbonitrile?
2-amino-6-chloro-4-pyridin-4-yl-4H-benzo[h]chromene-3-carbonitrile has a molecular weight of 333.78 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-4-pyridin-4-yl-4H-benzo[h]chromene-3-carbonitrile is sourced from PubChem (CID 53396579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).