2-chloro-7-fluoro-4-methyl-3,5-dihydro-1,4-benzodiazepine

C10H10ClFN2 — CID 175744132

IUPAC2-chloro-7-fluoro-4-methyl-3,5-dihydro-1,4-benzodiazepine
SMILESCN1CC(Cl)=Nc2ccc(F)cc2C1
InChIInChI=1S/C10H10ClFN2/c1-14-5-7-4-8(12)2-3-9(7)13-10(11)6-14/h2-4H,5-6H2,1H3
InChIKeyLDPZPLCCDRYQAA-UHFFFAOYSA-N
MW212.66 g/mol
LogP2.54
Rot. Bonds

About 2-chloro-7-fluoro-4-methyl-3,5-dihydro-1,4-benzodiazepine

2-chloro-7-fluoro-4-methyl-3,5-dihydro-1,4-benzodiazepine (PubChem CID 175744132) has the molecular formula C10H10ClFN2 and a molecular weight of 212.66 g/mol. Its IUPAC name is 2-chloro-7-fluoro-4-methyl-3,5-dihydro-1,4-benzodiazepine.

Molecular Properties

Compound Name2-chloro-7-fluoro-4-methyl-3,5-dihydro-1,4-benzodiazepine
PubChem CID175744132
Molecular FormulaC10H10ClFN2
Molecular Weight212.66 g/mol
Exact Mass212.05
IUPAC Name2-chloro-7-fluoro-4-methyl-3,5-dihydro-1,4-benzodiazepine
SMILESCN1CC(Cl)=Nc2ccc(F)cc2C1
InChIInChI=1S/C10H10ClFN2/c1-14-5-7-4-8(12)2-3-9(7)13-10(11)6-14/h2-4H,5-6H2,1H3
InChIKeyLDPZPLCCDRYQAA-UHFFFAOYSA-N
XLogP2.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-7-fluoro-4-methyl-3H-1,4-benzodiazepin-5-one
CID 10857165
4,7-dimethyl-3,5-dihydro-1,4-benzodiazepin-2-amine
CID 144854974
N-(2,4-difluorophenyl)-2-methyl-1,3-dihydroisoindol-5-amine
CID 82536099
2-(6-chloro-2-methylpyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
CID 133422510
7-fluoro-2-methyl-1H-isoquinoline
CID 118025213
2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline
CID 86039288
2,8-difluoro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
CID 67474881
[(1S)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol
CID 141365941
5-chloro-2-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole
CID 156823016
5-fluoro-1-methyl-3H-2,1-benzoxazole
CID 175342122
5-bromo-6-chloro-2-methyl-1,3-dihydroisoindole
CID 168923965
6-methyl-5,7-dihydropyrrolo[3,4-d]pyridazine
CID 129098866

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-fluoro-4-methyl-3,5-dihydro-1,4-benzodiazepine?
The IUPAC name of 2-chloro-7-fluoro-4-methyl-3,5-dihydro-1,4-benzodiazepine (CID 175744132) is 2-chloro-7-fluoro-4-methyl-3,5-dihydro-1,4-benzodiazepine.
What is the SMILES notation for 2-chloro-7-fluoro-4-methyl-3,5-dihydro-1,4-benzodiazepine?
The canonical SMILES for 2-chloro-7-fluoro-4-methyl-3,5-dihydro-1,4-benzodiazepine is CN1CC(Cl)=Nc2ccc(F)cc2C1.
What is the InChIKey of 2-chloro-7-fluoro-4-methyl-3,5-dihydro-1,4-benzodiazepine?
The InChIKey is LDPZPLCCDRYQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2/c1-14-5-7-4-8(12)2-3-9(7)13-10(11)6-14/h2-4H,5-6H2,1H3.
What are the key properties of 2-chloro-7-fluoro-4-methyl-3,5-dihydro-1,4-benzodiazepine?
2-chloro-7-fluoro-4-methyl-3,5-dihydro-1,4-benzodiazepine has a molecular weight of 212.66 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-fluoro-4-methyl-3,5-dihydro-1,4-benzodiazepine is sourced from PubChem (CID 175744132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).